UCSF

ZINC19527140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 26 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) 2.31 6.35 -32.5 2 5 1 50 356.49 8
Hi High (pH 8-9.5) 2.31 4.14 -8.71 1 5 0 49 355.482 8
Hi High (pH 8-9.5) 2.31 7.14 -31.61 1 5 0 53 355.482 8
Mid Mid (pH 6-8) 2.31 7.87 -30.76 2 5 1 50 356.49 8
Mid Mid (pH 6-8) 2.31 8.25 -88.18 3 5 2 51 357.498 8

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

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