UCSF

ZINC34824228

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 1.96 7.8 -84.09 3 3 2 24 253.365 4
Mid Mid (pH 6-8) 1.96 5.59 -43.7 2 3 1 23 252.357 4

Activity (Go SEA)

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