UCSF

ZINC19953213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 21 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) 3.79 9.26 -14.15 2 3 0 43 273.339 1
Mid Mid (pH 6-8) 3.79 9.63 -26.12 3 3 1 45 274.347 1

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