UCSF

ZINC57911789

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 0.88 3.96 -16.49 1 8 0 83 369.372 7
Mid Mid (pH 6-8) 1.34 5.68 -51.08 1 8 0 87 369.372 7
Mid Mid (pH 6-8) 1.34 3.41 -48.32 0 8 -1 86 368.364 7
Mid Mid (pH 6-8) 0.88 6.29 -60.52 2 8 1 84 370.38 7

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

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