UCSF

ZINC52379558

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 Yes

Popular Name: 2-methyl-N-[[(2S,5S)-5-[(4-methylpiperazin-1-yl)methyl]tetrahydrofuran-2-yl]methyl]propan-1-amine 2-methyl-N-[[(2S,5S)-5-[(4-methy…

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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) 1.15 5.99 -85.55 3 4 2 34 271.449 6 ↓
Mid Mid (pH 6-8) 1.15 3.61 -36.64 2 4 1 32 270.441 6 ↓
Mid Mid (pH 6-8) 1.15 5.56 -91.43 3 4 2 34 271.449 6 ↓

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

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