UCSF

ZINC20257873

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) -0.32 -0.16 -48.32 3 5 1 66 222.334 4
Hi High (pH 8-9.5) -0.32 -0.58 -57.44 2 5 0 68 221.326 4

Activity (Go SEA)

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