UCSF

ZINC30997842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2009 27 No

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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) 3.46 8.35 -57.31 3 7 1 89 390.847 8
Hi High (pH 8-9.5) 3.28 7.49 -47.25 2 7 0 95 389.839 8
Hi High (pH 8-9.5) 3.28 5.19 -59.02 1 7 -1 94 388.831 8

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