UCSF

ZINC20070391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 19 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) 3.04 7.62 -32.58 2 2 1 16 275.338 8
Lo Low (pH 4.5-6) 3.04 8.68 -122.2 3 2 2 21 276.346 8

Activity (Go SEA)

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