UCSF

ZINC62153982

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 33 No

Popular Name: (1S,3aR,6Z,9S,9aR,10R,11aS)-6-(diethylaminomethylene)-1,5,10-trihydroxy-9-(methoxymethyl)-9a,11a-dim (1S,3aR,6Z,9S,9aR,10R,11aS)-6-(d…

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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) 1.53 4.12 -15.91 3 8 0 117 461.555 5 ↓
Hi High (pH 8-9.5) 1.53 5.7 -108.36 1 8 -2 122 459.539 5 ↓
Mid Mid (pH 6-8) 1.53 4.92 -62.01 2 8 -1 119 460.547 5 ↓
Mid Mid (pH 6-8) 1.53 4.9 -45.29 2 8 -1 119 460.547 5 ↓

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