UCSF

ZINC41588303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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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) 4.18 7.23 -9.11 0 6 0 55 499.405 5
Mid Mid (pH 6-8) 4.18 9.49 -46.61 1 6 1 56 500.413 5
Mid Mid (pH 6-8) 4.18 10.09 -52.47 1 6 1 56 500.413 5
Lo Low (pH 4.5-6) 4.18 12.37 -125.98 2 6 2 58 501.421 5

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

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