UCSF

ZINC69772288

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 23 Yes

Popular Name: [(2R)-2,3-dihydro-1,4-benzoxathiin-2-yl]-[4-(2-hydroxy-2-methyl-propyl)piperazin-1-yl]methanone [(2R)-2,3-dihydro-1,4-benzoxathi…

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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) 1.65 5.54 -11.27 1 5 0 53 336.457 3 ↓
Lo Low (pH 4.5-6) 1.65 7.2 -47.08 2 5 1 54 337.465 3 ↓

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

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