UCSF

ZINC05287111

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 24 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) 3.61 5.39 -13.14 1 5 0 70 344.436 4
Hi High (pH 8-9.5) 3.61 6.17 -55.67 0 5 -1 73 343.428 4
Lo Low (pH 4.5-6) 3.61 5.89 -10.9 2 5 0 72 345.444 4

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