UCSF

ZINC53391780

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 Yes

Popular Name: N'-methyl-N-[(5-methyl-2-thienyl)methyl]-N'-[[(2S)-tetrahydropyran-2-yl]methyl]ethane-1,2-diamine N'-methyl-N-[(5-methyl-2-thienyl…

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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) 2.53 6.98 -35.35 2 3 1 26 283.461 7 ↓
Hi High (pH 8-9.5) 2.53 4.67 -3.91 1 3 0 24 282.453 7 ↓
Lo Low (pH 4.5-6) 2.53 6.02 -39.89 2 3 1 29 283.461 7 ↓
Lo Low (pH 4.5-6) 2.53 8.32 -116.32 3 3 2 30 284.469 7 ↓

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Rings

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

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