UCSF

ZINC60709812

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 3.51 9.27 -49.02 2 2 1 29 291.365 7
Lo Low (pH 4.5-6) 3.51 9.72 -105.67 3 2 2 31 292.373 7

Activity (Go SEA)

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