UCSF

ZINC20441906

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 0.01 0.7 -35.02 3 4 1 46 215.317 6
Mid Mid (pH 6-8) 0.01 1.96 -104.21 4 4 2 51 216.325 6

Activity (Go SEA)

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