UCSF

ZINC33831863

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.61 4.27 -46.28 2 4 1 47 261.345 0
Hi High (pH 8-9.5) 0.61 2.01 -9.6 1 4 0 45 260.337 0

Activity (Go SEA)

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