UCSF

ZINC37109780

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 Yes

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

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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) 2.64 3.25 -47.26 3 2 1 31 247.815 5 ↓
Hi High (pH 8-9.5) 2.64 2.88 -1.39 2 2 0 29 246.807 5 ↓
Lo Low (pH 4.5-6) 2.64 5.35 -126.68 4 2 2 32 248.823 5 ↓

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