UCSF

ZINC39046205

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.14 5.57 -36.68 3 4 1 60 294.378 2
Mid Mid (pH 6-8) 2.14 5.24 -9.68 2 4 0 59 293.37 2

Activity (Go SEA)

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