UCSF

ZINC61325313

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 Yes

Popular Name: (1S)-N,N-dimethyl-N'-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]-1-(2-thienyl)ethane-1,2-diamine (1S)-N,N-dimethyl-N'-[(4R)-4,5,6…

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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) 2.70 7.41 -39.42 2 2 1 20 307.508 5 ↓
Hi High (pH 8-9.5) 2.70 7.27 -3.2 1 2 0 15 306.5 5 ↓
Mid Mid (pH 6-8) 2.70 8.68 -34.33 2 2 1 16 307.508 5 ↓

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

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