UCSF

ZINC52304052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 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) 1.53 5.6 -50.34 3 3 1 45 196.318 7
Hi High (pH 8-9.5) 1.53 5.22 -5.79 2 3 0 44 195.31 7
Mid Mid (pH 6-8) 1.53 5.95 -103.71 4 3 2 47 197.326 7

Activity (Go SEA)

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