UCSF

ZINC62993108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 34 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 5.78 12.55 -48.17 1 5 0 47 475.634 7
Mid Mid (pH 6-8) 5.78 12.45 -9.35 0 5 0 46 474.626 7
Lo Low (pH 4.5-6) 5.78 15.41 -108.1 2 5 0 48 476.642 7

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

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