UCSF

ZINC05376412

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 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) 5.61 8.5 -8.71 1 4 0 54 338.432 4
Mid Mid (pH 6-8) 5.12 8.43 -45.33 0 4 -1 53 337.424 5
Lo Low (pH 4.5-6) 5.12 8.87 -15.01 1 4 0 51 338.432 5

Activity (Go SEA)

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