UCSF

ZINC53654447

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 27 No

Popular Name: (3aR)-5-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(3-methoxyphenyl)-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyr (3aR)-5-[(2-butyl-1H-imidazol-5-…

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) 3.53 7.78 -49.43 2 6 1 67 366.489 7 ↓
Mid Mid (pH 6-8) 3.53 7.04 -15.59 1 6 0 66 365.481 7 ↓

Activity (Go SEA)

Rings

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

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