UCSF

ZINC15013682

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 24 No

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Annotations

Vendors

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) 5.08 5.09 -9.35 2 5 0 75 360.822 3
Hi High (pH 8-9.5) 5.08 5.85 -45.76 1 5 -1 78 359.814 3
Hi High (pH 8-9.5) 5.54 4.08 -101.29 0 5 -2 81 358.806 3
Mid Mid (pH 6-8) 4.59 4.95 -38.6 1 5 -1 74 359.814 4

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