UCSF

ZINC55154133

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 24 Yes

Popular Name: (1R,3S)-N3-ethyl-1,2,2-trimethyl-N1-[2-(1H-triazol-5-ylsulfanyl)ethyl]cyclopentane-1,3-dicarboxamide (1R,3S)-N3-ethyl-1,2,2-trimethyl…

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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) 1.97 3.21 -18.55 3 7 0 100 353.492 7 ↓
Hi High (pH 8-9.5) 1.97 3.2 -49.03 2 7 -1 98 352.484 7 ↓

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Rings

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

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