UCSF

ZINC65531555

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 20 No

Popular Name: (2R)-2-[(3S)-3,5-dimethyl-3H-pyrazol-4-yl]-7,7-dimethyl-2,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one (2R)-2-[(3S)-3,5-dimethyl-3H-pyr…

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) 1.42 -0.72 -10.14 1 6 0 79 273.34 1 ↓

Activity (Go SEA)

Rings

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

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