UCSF

ZINC53495058

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 19 Yes

Popular Name: (2S)-N2-methyl-N2-[[(2S)-tetrahydropyran-2-yl]methyl]-N1-(2-thienylmethyl)propane-1,2-diamine (2S)-N2-methyl-N2-[[(2S)-tetrahy…

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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) 2.63 6.76 -32.1 2 3 1 26 283.461 7 ↓
Hi High (pH 8-9.5) 2.63 4.9 -3.1 1 3 0 24 282.453 7 ↓
Lo Low (pH 4.5-6) 2.63 6.27 -36.75 2 3 1 29 283.461 7 ↓
Lo Low (pH 4.5-6) 2.63 8.11 -113.76 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.