UCSF

ZINC69796994

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 No

Popular Name: 1-allyl-4-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]tetrazole-5-thione 1-allyl-4-[[(3S)-3-(morpholinome…

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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) 0.68 7.07 -41.27 1 7 1 53 339.489 6 ↓
Mid Mid (pH 6-8) 0.68 6.77 -41.88 1 7 1 53 339.489 6 ↓
Mid Mid (pH 6-8) 0.68 4.73 -7.75 0 7 0 51 338.481 6 ↓
Lo Low (pH 4.5-6) 0.68 9.11 -106.48 2 7 2 54 340.497 6 ↓

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

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