UCSF

ZINC69792758

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 No

Popular Name: (3S)-4-[[(2R)-6-azaspiro[2.5]octan-2-yl]methyl]-3-methyl-thiomorpholine (3S)-4-[[(2R)-6-azaspiro[2.5]oct…

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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) 1.58 7.64 -96.58 3 2 2 21 242.432 2 ↓
Mid Mid (pH 6-8) 1.58 5.58 -41.42 2 2 1 20 241.424 2 ↓

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

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