UCSF

ZINC69891116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 Yes

Popular Name: N'-cyclopropyl-N'-methyl-N-[(2R,4R)-2-methyltetrahydropyran-4-yl]ethane-1,2-diamine N'-cyclopropyl-N'-methyl-N-[(2R,…

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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) 1.23 5.7 -113.22 3 3 2 30 214.353 5 ↓
Hi High (pH 8-9.5) 1.23 2.12 -1.89 1 3 0 24 212.337 5 ↓
Mid Mid (pH 6-8) 1.23 4.53 -33.05 2 3 1 26 213.345 5 ↓
Mid Mid (pH 6-8) 1.23 3.28 -40.22 2 3 1 29 213.345 5 ↓

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

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