UCSF

ZINC43417189

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 2.02 7.7 -88.95 4 4 2 58 266.433 7
Mid Mid (pH 6-8) 2.02 7.17 -50.02 3 4 1 57 265.425 7

Activity (Go SEA)

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