UCSF

ZINC04869588

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 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) 3.14 5.12 -13.23 3 5 0 77 339.42 4
Lo Low (pH 4.5-6) 3.14 5.44 -33.35 4 5 1 78 340.428 4

Activity (Go SEA)

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