UCSF

ZINC33764526

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 29 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) 3.71 11.88 -52.57 2 5 1 50 427.981 5
Mid Mid (pH 6-8) 3.71 9.53 -14.38 1 5 0 48 426.973 5

Activity (Go SEA)

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