UCSF

ZINC16666295

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 24 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) 5.45 8.62 -8.67 1 4 0 54 338.432 3
Ref Reference (pH 7) 5.45 8.92 -8.74 1 4 0 54 338.432 3
Mid Mid (pH 6-8) 4.96 8.95 -46.94 0 4 -1 53 337.424 4
Lo Low (pH 4.5-6) 4.96 8.94 -16.03 1 4 0 51 338.432 4

Activity (Go SEA)

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