UCSF

ZINC40013766

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 32 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) 3.16 12.89 -14.32 0 8 0 109 431.379 3
Lo Low (pH 4.5-6) 3.16 13.16 -44.36 1 8 1 110 432.387 3

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