UCSF

ZINC53496207

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 17 Yes

Popular Name: (2R)-N1-cyclopentyl-N2-methyl-N2-[[(2S)-tetrahydrofuran-2-yl]methyl]propane-1,2-diamine (2R)-N1-cyclopentyl-N2-methyl-N2…

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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) 2.23 5.1 -31.79 2 3 1 29 241.399 6 ↓
Hi High (pH 8-9.5) 2.23 3.52 -2.54 1 3 0 24 240.391 6 ↓
Lo Low (pH 4.5-6) 2.23 7.15 -108.56 3 3 2 30 242.407 6 ↓

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

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