UCSF

ZINC19963213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 3.84 6.53 -35.23 3 3 1 46 338.269 2
Mid Mid (pH 6-8) 3.84 5.8 -4.07 2 3 0 41 337.261 2

Activity (Go SEA)

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