UCSF

ZINC49520428

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 20 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) 0.52 4.33 -16.27 2 8 0 121 274.236 3
Hi High (pH 8-9.5) 0.98 2.29 -60.37 1 8 -1 124 273.228 3

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

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