UCSF

ZINC44812013

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 15 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) 0.97 3.35 -7.31 0 4 0 47 209.293 3
Mid Mid (pH 6-8) 0.97 5.57 -40.83 1 4 1 49 210.301 3

Activity (Go SEA)

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