UCSF

ZINC49000833

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) -0.86 5.8 -20.92 0 6 0 95 261.329 8
Mid Mid (pH 6-8) -0.86 7.79 -69.57 1 6 1 96 262.337 8

Activity (Go SEA)

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