UCSF

ZINC52377822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 Yes

Popular Name: N-methyl-1-[1-(2-morpholinoethyl)triazol-4-yl]methanamine N-methyl-1-[1-(2-morpholinoethyl…

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Download: MOL2 SDF SMILES Flexibase

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) -0.47 0.22 -44.64 2 6 1 60 226.304 5 ↓
Hi High (pH 8-9.5) -0.47 -1.24 -8.87 1 6 0 55 225.296 5 ↓
Mid Mid (pH 6-8) -0.47 2.49 -97.94 3 6 2 61 227.312 5 ↓

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Rings

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

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