UCSF

ZINC33823918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 25 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) 3.94 10.87 -40.17 1 4 1 34 347.523 8
Mid Mid (pH 6-8) 3.94 13.07 -108.22 2 4 2 35 348.531 8
Mid Mid (pH 6-8) 3.94 10.58 -39.09 1 4 1 34 347.523 8

Activity (Go SEA)

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