UCSF

ZINC49510087

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 21 Yes

Popular Name: 2-[[5-ethyl-4-[(1R)-1-methyl-2-morpholino-ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetic 2-[[5-ethyl-4-[(1R)-1-methyl-2-m…

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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) 0.52 5.9 -48.69 0 7 -1 83 313.403 7 ↓
Mid Mid (pH 6-8) 0.52 7.91 -68.64 1 7 0 85 314.411 7 ↓

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

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