UCSF

ZINC07787565

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 20 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) 3.02 8.38 -39.72 2 4 1 57 292.79 3
Mid Mid (pH 6-8) 2.84 7.59 -26.14 1 4 0 64 291.782 3

Activity (Go SEA)

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