UCSF

ZINC69796715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 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) 1.60 10.98 -61.62 1 7 1 52 391.565 4
Mid Mid (pH 6-8) 1.60 11.28 -71.92 1 7 1 52 391.565 4
Mid Mid (pH 6-8) 1.60 9.29 -26.99 0 7 0 51 390.557 4
Lo Low (pH 4.5-6) 1.60 12.95 -136.34 2 7 2 53 392.573 4

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

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