UCSF

ZINC42765215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.72 4.9 -7.58 1 3 0 47 286.297 7
Mid Mid (pH 6-8) 2.72 7.06 -49.3 2 3 1 48 287.305 7

Activity (Go SEA)

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