UCSF

ZINC04733914

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 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) 5.15 11.4 -8.66 1 4 0 42 379.261 3
Lo Low (pH 4.5-6) 5.15 11.85 -28.52 2 4 1 43 380.269 3

Activity (Go SEA)

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