UCSF

ZINC67433178

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 26 Yes

Popular Name: (7S)-2-(5-cyclopropyl-1H-pyrazol-3-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin (7S)-2-(5-cyclopropyl-1H-pyrazol…

Find On: PubMed — Wikipedia — Google

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) 2.83 6.12 -18.49 3 6 0 86 351.385 3 ↓
Ref Reference (pH 7) 2.83 6.05 -19.47 3 6 0 86 351.385 3 ↓
Mid Mid (pH 6-8) 2.83 6.02 -12.02 3 6 0 86 351.385 3 ↓
Lo Low (pH 4.5-6) 2.83 6.48 -41.03 4 6 1 88 352.393 3 ↓
Lo Low (pH 4.5-6) 2.83 6.55 -34.47 4 6 1 88 352.393 3 ↓

Activity (Go SEA)

Rings

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

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