UCSF

ZINC69135556

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 No

Popular Name: (1S)-N'-[(3R)-1,1-dioxothian-3-yl]-N,N-dimethyl-1-(2-thienyl)ethane-1,2-diamine (1S)-N'-[(3R)-1,1-dioxothian-3-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) 1.40 3.38 -47.05 2 4 1 51 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.23 -54.95 2 4 1 54 303.473 5 ↓
Mid Mid (pH 6-8) 1.40 2.05 -11.91 1 4 0 49 302.465 5 ↓

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

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