UCSF

ZINC35810232

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 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) 5.79 16.43 -37.25 1 4 1 34 457.638 9
Mid Mid (pH 6-8) 5.79 13.37 -9.74 0 4 0 33 456.63 9

Activity (Go SEA)

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