UCSF

ZINC69482203

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 Yes

Popular Name: (1S,4aS,5R,8aR)-1,4a-dimethyl-6-methylene-5-[(2Z)-3-methylpenta-2,4-dienyl]decalin-1-carboxylic (1S,4aS,5R,8aR)-1,4a-dimethyl-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) 5.40 11.75 -50.58 0 2 -1 40 301.45 4 ↓
Lo Low (pH 4.5-6) 5.40 9.87 -5.35 1 2 0 37 302.458 4 ↓

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

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