UCSF

ZINC63270173

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 28 Yes

Popular Name: (3S,4R)-3-[3-[(7aR)-4,6,7,7a-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-oxo-propyl]-7-methoxy-4,8-dimet (3S,4R)-3-[3-[(7aR)-4,6,7,7a-tet…

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) 2.18 10.01 -46.8 2 7 1 86 384.456 4 ↓
Mid Mid (pH 6-8) 2.18 9.55 -17.44 1 7 0 85 383.448 4 ↓

Activity (Go SEA)

Rings

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

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