UCSF

ZINC22922760

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 1.59 3.52 -82.59 2 7 0 94 355.46 6
Mid Mid (pH 6-8) 1.59 3.39 -81.93 2 7 0 94 355.46 6
Mid Mid (pH 6-8) 1.59 1.06 -61.22 1 7 -1 93 354.452 6

Activity (Go SEA)

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