UCSF

ZINC53425832

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 18 Yes

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

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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) 1.20 3.39 -43.29 2 4 1 42 251.35 5 ↓
Hi High (pH 8-9.5) 1.20 2.03 -4.34 1 4 0 38 250.342 5 ↓
Lo Low (pH 4.5-6) 1.20 5.62 -120.74 3 4 2 43 252.358 5 ↓

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

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