UCSF

ZINC41685344

Substance Information

In ZINC since Heavy atoms Benign functionality
April 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) 0.20 3.05 -45.73 3 5 1 72 215.273 9
Mid Mid (pH 6-8) 0.20 1.7 -9.17 2 5 0 67 214.265 9

Activity (Go SEA)

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