UCSF

ZINC33730363

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 30 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) 4.33 16.37 -48.61 2 5 1 38 463.458 10
Mid Mid (pH 6-8) 4.33 15.86 -17.65 1 5 0 36 462.45 10
Lo Low (pH 4.5-6) 4.33 17.13 -94.15 3 5 0 39 464.466 10

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