UCSF

ZINC36783494

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 16 Yes

Popular Name: (1S)-1-(5-chloro-2-thienyl)-N-[(1R)-1-cyclopropylethyl]-N-methyl-ethane-1,2-diamine (1S)-1-(5-chloro-2-thienyl)-N-[(…

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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 4.47 -46.66 3 2 1 31 259.826 5 ↓
Hi High (pH 8-9.5) 2.63 4.67 -1.78 2 2 0 29 258.818 5 ↓
Lo Low (pH 4.5-6) 2.63 6.21 -124.06 4 2 2 32 260.834 5 ↓

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