UCSF

ZINC26843953

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 22 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) 5.54 8.06 -7.6 1 3 0 46 358.29 3
Mid Mid (pH 6-8) 5.54 8.12 -35.61 0 3 -1 48 357.282 3

Activity (Go SEA)

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