UCSF

ZINC53941067

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2010 21 Yes

Popular Name: (1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-methyl-1-(p-tolyl)prop (1S)-3-[(4aS,7aS)-3,4a,5,6,7,7a-…

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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) 2.25 7.74 -33.84 2 3 1 26 289.443 5 ↓
Hi High (pH 8-9.5) 2.25 6.62 -42.39 2 3 1 29 289.443 5 ↓
Mid Mid (pH 6-8) 2.25 5.51 -3.25 1 3 0 24 288.435 5 ↓
Lo Low (pH 4.5-6) 2.25 8.86 -116.97 3 3 2 30 290.451 5 ↓

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Rings

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

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