UCSF

ZINC22851777

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2008 44 No

Popular Name: N,N'-bis[[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl]et N,N'-bis[[(1R,4aS,10aR)-7-isopro…

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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) 9.48 21.95 -147.33 4 2 2 33 599.004 9 ↓
Hi High (pH 8-9.5) 9.48 19.78 -2.33 2 2 0 24 596.988 9 ↓
Mid Mid (pH 6-8) 9.48 20.86 -47.31 3 2 1 29 597.996 9 ↓

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