UCSF

ZINC40175698

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 21 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) 2.37 6.83 -8.21 1 6 0 78 288.303 6
Mid Mid (pH 6-8) 2.37 7.24 -34.04 2 6 1 79 289.311 6

Activity (Go SEA)

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