UCSF

ZINC34575087

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 No

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) 4.50 9.08 -5.02 0 1 0 12 229.71 2
Lo Low (pH 4.5-6) 4.50 9.43 -32.56 1 1 1 14 230.718 2

Activity (Go SEA)

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