UCSF

ZINC52925164

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 0.05 0.07 -8.66 2 5 0 68 219.281 9
Mid Mid (pH 6-8) 0.05 1.47 -40.38 3 5 1 72 220.289 9

Activity (Go SEA)

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