UCSF

ZINC34884163

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 3.17 13.93 -66.08 1 5 0 60 377.488 6
Mid Mid (pH 6-8) 3.17 11.71 -49.45 0 5 -1 59 376.48 6
Lo Low (pH 4.5-6) 3.17 11.96 -49.41 2 5 1 57 378.496 6

Activity (Go SEA)

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