UCSF

ZINC04931121

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 24 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) 3.71 8.34 -27.42 2 5 0 71 329.375 6
Lo Low (pH 4.5-6) 3.71 8.12 -35.38 3 5 1 72 330.383 6

Activity (Go SEA)

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