UCSF

ZINC60119582

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 37 No

Popular Name: [(1S,2R,3S,8R)-2-[[(2R)-5-methyl-1,3-benzodioxol-2-yl]carbamoyl]-3-(2-naphthyl)-2,3,5,6,7,8-hexahydr [(1S,2R,3S,8R)-2-[[(2R)-5-methyl…

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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) 3.85 9.46 -152.79 2 9 -1 124 523.502 6 ↓
Hi High (pH 8-9.5) 3.85 7.86 -171.21 1 9 -2 123 522.494 6 ↓
Mid Mid (pH 6-8) 3.85 8.2 -69.19 3 9 0 122 524.51 6 ↓

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

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