UCSF

ZINC69796374

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 20 No

Popular Name: 3-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]thiazolidine-2-thione 3-[[(3S)-3-(morpholinomethyl)-1-…

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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) 1.80 4.45 -13.12 0 4 0 19 315.508 4 ↓
Mid Mid (pH 6-8) 1.80 6.48 -41.92 1 4 1 20 316.516 4 ↓

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

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