UCSF

ZINC09650210

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 18 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) 2.45 -2.43 -9.43 1 3 0 38 260.362 5
Mid Mid (pH 6-8) 2.45 -2.18 -27.27 2 3 1 39 261.37 5

Activity (Go SEA)

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