UCSF

ZINC42880173

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 2.73 3.6 -50.95 3 5 1 65 288.323 5
Hi High (pH 8-9.5) 2.73 2.22 -8.84 2 5 0 60 287.315 5

Activity (Go SEA)

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