UCSF

ZINC35465268

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 17 No

Popular Name: (1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid (1S,3aS,5aR,8aS)-1,7,7-trimethyl…

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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) 3.40 9.34 -52.72 0 2 -1 40 233.331 1 ↓
Mid Mid (pH 6-8) 3.40 7.34 -4.78 1 2 0 37 234.339 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.15e-02 g/l DrugBank-experimental

Activity (Go SEA)

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