UCSF

ZINC41495279

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.37 8.04 -34.58 2 6 1 75 369.372 4
Mid Mid (pH 6-8) 3.63 8.48 -39.45 2 6 1 71 369.372 5
Mid Mid (pH 6-8) 3.63 8.1 -12.22 1 6 0 70 368.364 5

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

No pre-computed analogs available. Try a structural similarity search.