UCSF

ZINC69903081

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 24 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) 3.19 8.21 -41.38 1 5 -1 68 397.91 5
Mid Mid (pH 6-8) 4.10 6.7 -107.16 0 5 -2 74 396.902 4
Lo Low (pH 4.5-6) 3.14 9.1 -10.03 2 5 0 67 398.918 5

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

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