UCSF

ZINC69796789

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 25 No

Popular Name: 3-[[(3S)-3-(morpholinomethyl)-1-piperidyl]methyl]-1,2,3-benzotriazine-4-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) 1.92 7.37 -37.44 1 6 1 48 360.507 4 ↓
Mid Mid (pH 6-8) 1.92 7.11 -42.64 1 6 1 48 360.507 4 ↓
Mid Mid (pH 6-8) 1.92 5.07 -11.29 0 6 0 46 359.499 4 ↓
Lo Low (pH 4.5-6) 1.92 9.41 -101.37 2 6 2 49 361.515 4 ↓

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

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