UCSF

ZINC34675452

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 19 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) 3.35 7.06 -32.27 2 3 1 33 265.421 5
Hi High (pH 8-9.5) 3.35 6.31 -1.73 1 3 0 28 264.413 5
Hi High (pH 8-9.5) 3.35 8.39 -30.63 2 3 1 30 265.421 5

Activity (Go SEA)

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