UCSF

ZINC34595212

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 3.96 13.34 -57.62 1 5 -1 76 391.491 9
Lo Low (pH 4.5-6) 3.96 11.36 -19.02 2 5 0 73 392.499 9

Activity (Go SEA)

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