UCSF

ZINC07276381

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2006 25 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) 3.14 9.78 -42.99 2 4 1 48 335.427 8
Lo Low (pH 4.5-6) 3.14 10.05 -113.34 3 4 2 49 336.435 8

Activity (Go SEA)

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