UCSF

ZINC45315178

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 28 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) 5.24 14.1 -25.9 2 5 1 57 380.512 7
Mid Mid (pH 6-8) 5.24 13.81 -16.9 1 5 0 56 379.504 7
Mid Mid (pH 6-8) 5.24 13.97 -26.78 2 5 0 60 380.512 7
Lo Low (pH 4.5-6) 5.24 13.92 -32.82 3 5 0 61 381.52 7

Activity (Go SEA)

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