UCSF

ZINC26726632

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 16 No

Popular Name: N-[4-(2-aminothiazol-4-yl)phenyl]acetamidine N-[4-(2-aminothiazol-4-yl)phenyl…

Find On: PubMed — Wikipedia — Google

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) 2.06 4.11 -34.84 5 4 1 77 233.32 3 ↓
Hi High (pH 8-9.5) 2.06 4.17 -52.28 4 4 0 74 232.312 3 ↓
Mid Mid (pH 6-8) 2.06 4.17 -10.25 4 4 0 75 232.312 3 ↓
Lo Low (pH 4.5-6) 2.06 4.47 -74.84 6 4 2 78 234.328 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-7-E Nitric-oxide Synthase, Brain (cluster #7 Of 7), Eukaryotic Eukaryotes 7500 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 7500 0.45 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% )