UCSF

ZINC94437802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2013 17 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) -5.09 -0.68 -79.63 4 8 -1 164 242.211 7
Hi High (pH 8-9.5) -5.09 -1.08 -102.33 3 8 -2 163 241.203 7

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

No pre-computed analogs available. Try a structural similarity search.