UCSF

ZINC31976287

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 3.25 7.4 -10.17 2 4 0 65 276.361 5
Hi High (pH 8-9.5) 3.25 7.46 -42.57 1 4 -1 63 275.353 5
Lo Low (pH 4.5-6) 3.25 7.82 -29.71 3 4 1 66 277.369 5

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