UCSF

ZINC30942165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 35 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) 3.03 11.21 -47.54 3 7 1 85 473.597 9
Lo Low (pH 4.5-6) 3.03 11.65 -93.58 4 7 2 86 474.605 9

Activity (Go SEA)

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