UCSF

ZINC06472849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 24 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) 0.95 -0.67 -16.53 2 8 0 109 352.368 4
Hi High (pH 8-9.5) 0.95 0.1 -48.34 1 8 -1 112 351.36 4

Activity (Go SEA)

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