UCSF

ZINC62977238

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 37 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) 5.94 12.81 -51.17 1 6 0 56 499.631 8
Mid Mid (pH 6-8) 5.94 15.7 -116.94 2 6 0 58 500.639 8
Mid Mid (pH 6-8) 5.94 12.71 -11.4 0 6 0 55 498.623 8

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

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