UCSF

ZINC19939875

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 18 Yes

Popular Name: 2(3H)-Benzoxazolone, 5-chloro-3-(4-morpholinylmethyl)-; 2-Benzoxazolinone, 5-chloro-3-(morpholinomethyl)-; 5-Chloro-3-(4-morpholinylmethyl)-2(3H)-benzoxazolone; 5-Chloro-3-(morpholinomethyl)-2-benzoxazolinone; BRN 1219941; LS-42367; Morfolinometylo-5-chlo 2(3H)-Benzoxazolone, 5-chloro-3-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.63 -8.47 0 5 0 48 268.7 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-1-E Nitric-oxide Synthase, Brain (cluster #1 Of 7), Eukaryotic Eukaryotes 5600 0.41 Binding ≤ 10μM
NOS2-4-E Nitric Oxide Synthase, Inducible (cluster #4 Of 9), Eukaryotic Eukaryotes 800 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS2_HUMAN P35228 Nitric Oxide Synthase, Inducible, Human 800 0.47 Binding ≤ 1μM
NOS2_HUMAN P35228 Nitric Oxide Synthase, Inducible, Human 800 0.47 Binding ≤ 10μM
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 5600 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Nitric oxide stimulates guanylate cyclase
Phagosomal maturation (early endosomal stage)

Analogs ( Draw Identity 99% 90% 80% 70% )