UCSF

ZINC69144340

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Substance Information

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

Popular Name: (2S)-2-[[(3R)-1,1-dioxothian-3-yl]amino]-1-morpholino-propan-1-one (2S)-2-[[(3R)-1,1-dioxothian-3-y…

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Download: MOL2 SDF SMILES Flexibase

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) -0.58 0.24 -53.88 2 6 1 80 291.393 3 ↓
Mid Mid (pH 6-8) -0.58 -0.82 -15.68 1 6 0 76 290.385 3 ↓

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

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