UCSF

ZINC56696213

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2011 17 No

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) 1.99 3.3 -42.04 2 7 -1 97 316.526 3
Mid Mid (pH 6-8) 1.99 4.05 -82.15 1 7 -2 100 315.518 3
Lo Low (pH 4.5-6) 1.99 3.42 -10.59 3 7 0 99 317.534 3

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

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