UCSF

ZINC13542747

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 0.38 -1.74 -12.76 4 8 0 119 285.691 2
Lo Low (pH 4.5-6) 0.38 -1.48 -34.11 5 8 1 121 286.699 2
Lo Low (pH 4.5-6) 0.38 -5.85 -34.5 5 8 1 121 286.699 2

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