UCSF

ZINC59417001

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 25 Yes

Popular Name: 4-[(2R,5S)-5-(1,3-benzoxazol-2-ylsulfanylmethyl)oxazolidin-2-yl]-N,N-dimethyl-aniline 4-[(2R,5S)-5-(1,3-benzoxazol-2-y…

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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) 3.74 3.27 -11.26 1 5 0 51 355.463 5 ↓
Mid Mid (pH 6-8) 3.74 5.22 -50.93 2 5 1 55 356.471 5 ↓
Lo Low (pH 4.5-6) 3.74 4.03 -95.15 2 5 0 52 356.471 5 ↓

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

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