UCSF

ZINC63019161

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 21 Yes

Popular Name: (1R)-3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2,2-dimethyl-1-phenyl-pr (1R)-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) 1.34 5.23 -2.83 2 3 0 38 288.435 4 ↓
Mid Mid (pH 6-8) 1.34 5.48 -47.62 3 3 1 40 289.443 4 ↓
Lo Low (pH 4.5-6) 1.34 7.22 -119.56 4 3 2 41 290.451 4 ↓
Lo Low (pH 4.5-6) 1.34 6.94 -32.26 3 3 1 40 289.443 4 ↓

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

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