UCSF

ZINC32007471

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

Other Names:

MFCD11916073

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) 0.17 1.8 -47.72 3 3 1 44 181.259 5
Mid Mid (pH 6-8) 0.17 3.96 -115.18 4 3 2 45 182.267 5
Mid Mid (pH 6-8) 0.17 3.72 -31.12 3 3 1 44 181.259 5

Activity (Go SEA)

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