UCSF

ZINC69137422

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 17 No

Popular Name: (3S)-N-[(1S)-1-methyl-2-(3-thienyl)ethyl]-1,1-dioxo-thian-3-amine (3S)-N-[(1S)-1-methyl-2-(3-thien…

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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) 1.61 3.91 -50.85 2 3 1 51 274.431 4 ↓
Hi High (pH 8-9.5) 1.61 2.93 -10.82 1 3 0 46 273.423 4 ↓

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

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