UCSF

ZINC03845289

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 16 No

Popular Name: 2,2'-(p-Phenylenedimethylene)bis(2-thiopseudourea) dihydrochloride; LS-126232; Pseudourea, 2,2'-(p-phenylenedimethylene)bis(2-thio-, dihydrochloride; USAF PD-9 2,2'-(p-Phenylenedimethylene)bis…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD00228159

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) 1.08 2.73 -76.45 8 4 2 103 256.4 6 ↓
Hi High (pH 8-9.5) 1.08 2.75 -39.42 7 4 1 101 255.392 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NOS1-3-E Nitric-oxide Synthase, Brain (cluster #3 Of 7), Eukaryotic Eukaryotes 100 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 100 0.61 Binding ≤ 1μM
NOS1_HUMAN P29475 Nitric-oxide Synthase, Brain, Human 100 0.61 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% )