UCSF

ZINC28225999

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 32 No

Popular Name: (1S,2R,4aS,6aS,6aR,6bR,8aR,12aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13, (1S,2R,4aS,6aS,6aR,6bR,8aR,12aS,…

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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) 7.94 14.38 -54 0 2 -1 40 439.704 1 ↓
Lo Low (pH 4.5-6) 7.94 13.26 -5.45 1 2 0 37 440.712 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5916919 IBM Patent Data

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