UCSF

ZINC53941070

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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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) 3.18 7.45 -33.33 2 3 1 26 289.443 5 ↓
Hi High (pH 8-9.5) 3.18 6.42 -40.72 2 3 1 29 289.443 5 ↓
Mid Mid (pH 6-8) 3.18 5.8 -2.96 1 3 0 24 288.435 5 ↓
Lo Low (pH 4.5-6) 3.18 8.34 -109.57 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.