UCSF

ZINC62962253

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 No

Popular Name: (3R)-N-[(1S)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1,1-dioxo-thiolan-3-amine (3R)-N-[(1S)-1-(6,7-dihydro-5H-p…

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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) -0.38 1.95 -20.68 1 6 0 77 270.358 3 ↓
Mid Mid (pH 6-8) -0.38 2.64 -62.88 2 6 1 81 271.366 3 ↓

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

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