UCSF

ZINC33686878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 34 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) 3.29 7.86 -17.2 1 7 0 65 465.594 10
Mid Mid (pH 6-8) 3.29 10.2 -52.63 2 7 1 66 466.602 10

Activity (Go SEA)

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