UCSF

ZINC40872281

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 23 Yes

Popular Name: (1R,2R,4aR,8aS)-1-[2-(2-furyl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic (1R,2R,4aR,8aS)-1-[2-(2-furyl)et…

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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) 4.80 10.94 -43.65 0 3 -1 53 315.433 4 ↓
Lo Low (pH 4.5-6) 4.80 9.16 -5.76 1 3 0 50 316.441 4 ↓

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

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