UCSF

ZINC65527715

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 27 No

Popular Name: (9aS)-2-[[(3R,5S)-4-methyl-5-(4-piperidylmethyl)-1,2,4-triazolidin-3-yl]methyl]-1,3,4,9a-tetrahydrop (9aS)-2-[[(3R,5S)-4-methyl-5-(4-…

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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) 2.05 3.92 -77.42 5 6 2 61 370.545 4 ↓
Lo Low (pH 4.5-6) 2.05 5.34 -146.47 6 6 3 62 371.553 4 ↓
Lo Low (pH 4.5-6) 2.05 7.31 -162.22 6 6 3 62 371.553 4 ↓
Lo Low (pH 4.5-6) 2.05 7.48 -279.19 7 6 4 64 372.561 4 ↓

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

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