UCSF

ZINC34526109

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 5.76 11.94 -5.42 1 2 0 23 373.54 2
Lo Low (pH 4.5-6) 5.76 12.72 -19.54 2 2 0 25 374.548 2

Activity (Go SEA)

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