UCSF

ZINC20270197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) -0.79 -0.96 -48.17 2 6 1 60 291.441 5
Mid Mid (pH 6-8) -0.79 1.43 -96.38 3 6 2 62 292.449 5

Activity (Go SEA)

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