UCSF

ZINC05385288

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 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) 2.48 8.35 -12.5 0 3 0 35 264.394 2
Mid Mid (pH 6-8) 2.48 8.84 -24.14 1 3 1 36 265.402 2

Activity (Go SEA)

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