UCSF

ZINC62963287

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 No

Popular Name: (3S)-3-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-1,1-dioxo-N-propyl-thiolan-3-amine (3S)-3-(5,6-dihydro-4H-cyclopent…

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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) 1.79 2.22 -13.93 1 4 0 59 300.449 4 ↓
Mid Mid (pH 6-8) 1.79 3.36 -55.22 2 4 1 64 301.457 4 ↓
Lo Low (pH 4.5-6) 1.79 4.04 -116.43 3 4 2 65 302.465 4 ↓

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

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