UCSF

ZINC40075644

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 28 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) 1.53 2.28 -56.44 2 8 -1 123 451.249 6
Hi High (pH 8-9.5) 1.53 3.2 -109.28 1 8 -2 126 450.241 6
Lo Low (pH 4.5-6) 1.53 1.39 -13 3 8 0 120 452.257 6

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