UCSF

ZINC37234670

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 No

Popular Name: (1R)-N'-[(4S)-isothiochroman-4-yl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine (1R)-N'-[(4S)-isothiochroman-4-y…

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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) 3.50 9.51 -37.11 2 2 1 16 319.519 5 ↓
Mid Mid (pH 6-8) 3.50 7.24 -2.95 1 2 0 15 318.511 5 ↓

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

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