UCSF

ZINC41587133

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 3.85 6.32 -10.57 0 6 0 55 458.917 4
Mid Mid (pH 6-8) 3.85 8.59 -49.91 1 6 1 56 459.925 4
Lo Low (pH 4.5-6) 3.85 9.18 -53.31 1 6 1 56 459.925 4

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

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