UCSF

ZINC62951465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.79 7.66 -128.27 4 2 2 32 266.404 4
Mid Mid (pH 6-8) 2.79 5.79 -47.28 3 2 1 31 265.396 4
Mid Mid (pH 6-8) 2.79 7.32 -37.58 3 2 1 30 265.396 4

Activity (Go SEA)

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