UCSF

ZINC53117362

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 1.27 1.23 -37.78 4 3 1 49 227.372 3
Mid Mid (pH 6-8) 1.27 1.02 -31.86 4 3 1 49 227.372 3
Mid Mid (pH 6-8) 1.27 2.37 -101.41 5 3 2 53 228.38 3

Activity (Go SEA)

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