UCSF

ZINC52278114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 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) 2.17 3.55 -41.79 3 4 1 55 252.334 7
Hi High (pH 8-9.5) 2.17 2.28 -6.44 2 4 0 51 251.326 7

Activity (Go SEA)

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