UCSF

ZINC05821739

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 14 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) 4.06 8.87 -47.01 0 2 -1 40 197.298 8
Lo Low (pH 4.5-6) 4.06 6.88 -5.11 1 2 0 37 198.306 8

Activity (Go SEA)

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