UCSF

ZINC37213885

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1-(2-furyl)methanamine (1S)-1-(5-chloro-2-thienyl)-N-[[…

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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) 4.03 8.91 -31.94 2 3 1 30 325.885 6 ↓
Hi High (pH 8-9.5) 4.03 6.66 -3.76 1 3 0 28 324.877 6 ↓
Lo Low (pH 4.5-6) 4.03 10.01 -113.18 3 3 2 34 326.893 6 ↓

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