UCSF

ZINC53495516

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 19 Yes

Popular Name: (2R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(2-thienylmethyl)propa (2R)-2-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 2.48 5.38 -41.35 2 3 1 29 281.445 5 ↓
Mid Mid (pH 6-8) 2.48 5 -3.07 1 3 0 24 280.437 5 ↓
Lo Low (pH 4.5-6) 2.48 7.22 -32.59 2 3 1 26 281.445 5 ↓
Lo Low (pH 4.5-6) 2.48 7.23 -118.93 3 3 2 30 282.453 5 ↓

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Rings

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

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