UCSF

ZINC05946303

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 20 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) 2.98 6.73 -46.95 0 4 -1 57 280.332 3
Lo Low (pH 4.5-6) 3.47 7.13 -37.94 2 4 1 59 282.348 2

Activity (Go SEA)

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