UCSF

ZINC69796860

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 No

Popular Name: 3-[[(3R)-3-(morpholinomethyl)-1-piperidyl]methyl]-5-nitro-1,3-benzoxazole-2-thione 3-[[(3R)-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) 2.19 8.75 -49.86 1 8 1 81 393.489 5 ↓
Mid Mid (pH 6-8) 2.19 8.44 -45.22 1 8 1 81 393.489 5 ↓
Mid Mid (pH 6-8) 2.19 6.45 -11.84 0 8 0 80 392.481 5 ↓
Lo Low (pH 4.5-6) 2.19 10.74 -116.79 2 8 2 82 394.497 5 ↓

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

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