UCSF

ZINC60020323

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 41 No

Popular Name: [(6aS,10R,10aR)-10-(hydroxymethyl)-6,6-dimethyl-3-[(1S)-1-methyl-4-phenyl-butyl]-6a,7,8,9,10,10a-hex [(6aS,10R,10aR)-10-(hydroxymethy…

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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) 6.16 13.08 -11.71 2 6 0 71 562.795 12 ↓
Mid Mid (pH 6-8) 6.16 15.34 -45.84 3 6 1 72 563.803 12 ↓
Lo Low (pH 4.5-6) 6.16 15.67 -89.96 4 6 2 77 564.811 12 ↓

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

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