UCSF

ZINC33541359

Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 36 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) 5.60 10.52 -20.97 3 8 0 105 501.612 9
Hi High (pH 8-9.5) 5.78 9.47 -44.75 2 8 -1 112 500.604 9

Activity (Go SEA)

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