UCSF

ZINC34936059

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 3.45 8.33 -42.17 2 3 1 29 264.418 5
Lo Low (pH 4.5-6) 3.45 8.67 -82.5 3 3 2 31 265.426 5

Activity (Go SEA)

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