UCSF

ZINC34565119

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 1.47 3.68 -47.41 3 5 1 72 254.306 6
Mid Mid (pH 6-8) 1.47 3.43 -8.55 2 5 0 71 253.298 6

Activity (Go SEA)

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