UCSF

ZINC36996497

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.54 5.54 -33.3 2 2 1 20 209.357 2
Lo Low (pH 4.5-6) 2.54 7.8 -104.96 3 2 2 21 210.365 2

Activity (Go SEA)

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