UCSF

ZINC52573268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 20 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) 4.15 6.66 -28.54 2 3 1 29 287.512 11
Hi High (pH 8-9.5) 4.15 6.74 -0.51 1 3 0 24 286.504 11
Hi High (pH 8-9.5) 4.15 7.91 -24.51 2 3 1 26 287.512 11
Mid Mid (pH 6-8) 4.15 8.99 -95.54 3 3 2 30 288.52 11

Activity (Go SEA)

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