UCSF

ZINC62153981

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 36 No

Popular Name: [(1S,3aR,6Z,9S,9aR,10R,11aS)-6-(diethylaminomethylene)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimeth [(1S,3aR,6Z,9S,9aR,10R,11aS)-6-(…

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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) 2.23 7.73 -14.36 2 9 0 123 503.592 7 ↓
Mid Mid (pH 6-8) 2.23 8.78 -53.01 1 9 -1 125 502.584 7 ↓

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

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