UCSF

ZINC39301146

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 34 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) 4.41 11.56 -48.58 6 9 1 119 462.578 9
Mid Mid (pH 6-8) 4.41 11.65 -80.29 7 9 2 120 463.586 9
Mid Mid (pH 6-8) 4.41 11.53 -83.45 7 9 2 120 463.586 9

Activity (Go SEA)

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