UCSF

ZINC19527142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 Yes

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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) 2.71 6.89 -28.65 2 4 1 41 326.464 7
Hi High (pH 8-9.5) 2.71 7.67 -28.32 1 4 0 44 325.456 7
Hi High (pH 8-9.5) 2.70 4.36 -5.76 1 4 0 40 325.456 7
Mid Mid (pH 6-8) 2.71 8.65 -35.62 2 4 1 41 326.464 7
Mid Mid (pH 6-8) 2.71 8.96 -89.36 3 4 2 42 327.472 7

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

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