UCSF

ZINC36870189

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 No

Popular Name: (3R)-N-[[(2R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N-methyl-1,1-dioxo-thiolan-3 (3R)-N-[[(2R,3aS,7aS)-2,3,3a,4,5…

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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) 2.44 2.76 -48.58 2 4 1 54 287.449 3 ↓
Mid Mid (pH 6-8) 2.44 4.71 -144.18 3 4 2 55 288.457 3 ↓

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

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