UCSF

ZINC69570274

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 21 Yes

Popular Name: 1-[(2S)-4-methylmorpholin-2-yl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine 1-[(2S)-4-methylmorpholin-2-yl]-…

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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) 0.79 3.62 -43.85 2 6 1 60 288.375 5 ↓
Hi High (pH 8-9.5) 0.79 2.21 -8.85 1 6 0 55 287.367 5 ↓
Lo Low (pH 4.5-6) 0.79 4.63 -41.78 2 6 1 56 288.375 5 ↓
Lo Low (pH 4.5-6) 0.79 6.04 -105.88 3 6 2 61 289.383 5 ↓

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Rings

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

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