UCSF

ZINC43916441

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 17 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) 3.28 7.31 -102.31 3 3 2 30 246.439 11
Mid Mid (pH 6-8) 3.28 7.03 -31.38 2 3 1 26 245.431 11

Activity (Go SEA)

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