UCSF

ZINC20072030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 13 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) 0.73 1.57 -37.29 2 3 1 29 185.291 2
Lo Low (pH 4.5-6) 0.73 4.12 -118.54 3 3 2 30 186.299 2

Activity (Go SEA)

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