UCSF

ZINC65506328

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 20 Yes

Popular Name: (3R)-3-[(3aR,4S)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-3H-quinolin-2-one (3R)-3-[(3aR,4S)-4,5,6,7-tetrahy…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.35 4.2 -84.68 4 5 2 73 268.32 1 ↓
Mid Mid (pH 6-8) 1.35 5.38 -191.67 5 5 3 78 269.328 1 ↓
Mid Mid (pH 6-8) 1.35 3.68 -42.99 3 5 1 72 267.312 1 ↓
Lo Low (pH 4.5-6) 1.35 5.82 -84.83 4 5 2 76 268.32 1 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.