UCSF

ZINC53391620

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

Popular Name: N-methyl-N-[[(2R)-tetrahydropyran-2-yl]methyl]-N'-(2-thienylmethyl)ethane-1,2-diamine N-methyl-N-[[(2R)-tetrahydropyra…

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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) 2.31 6.2 -34.58 2 3 1 26 269.434 7 ↓
Hi High (pH 8-9.5) 2.31 3.77 -3.32 1 3 0 24 268.426 7 ↓
Lo Low (pH 4.5-6) 2.31 5.12 -39.96 2 3 1 29 269.434 7 ↓
Lo Low (pH 4.5-6) 2.31 7.55 -115.55 3 3 2 30 270.442 7 ↓

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Rings

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

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