UCSF

ZINC69840657

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 21 Yes

Popular Name: (3R,5S)-3-[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-5-methyl-tetrahydrofuran-2- (3R,5S)-3-[(3R)-3-[(3,5-dimethyl…

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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) -0.62 8.55 -52.29 1 6 1 61 293.391 3 ↓
Mid Mid (pH 6-8) -0.62 6.24 -12.32 0 6 0 60 292.383 3 ↓
Lo Low (pH 4.5-6) -0.62 8.98 -97.61 2 6 2 63 294.399 3 ↓

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

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