UCSF

ZINC32107551

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 Yes

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) 1.34 0.68 -7.17 2 5 0 57 252.314 5
Mid Mid (pH 6-8) 1.34 3.08 -37.89 3 5 1 58 253.322 5

Activity (Go SEA)

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