UCSF

ZINC39741444

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 27 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) 4.44 9.05 -15.55 2 6 0 84 441.727 5
Hi High (pH 8-9.5) 4.51 8.17 -46.63 1 6 -1 90 440.719 5

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