UCSF

ZINC44725890

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 1.21 4.87 -27.33 2 4 1 48 210.301 5
Mid Mid (pH 6-8) 1.21 4.47 -6.68 1 4 0 47 209.293 5

Activity (Go SEA)

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