UCSF

ZINC53314496

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 23 No

Popular Name: (E,4Z)-4-[(3aR,5aR,9aS,9bR)-3a-methyl-2,7-dioxo-4,5,5a,6,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphtha (E,4Z)-4-[(3aR,5aR,9aS,9bR)-3a-m…

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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) 2.35 9.65 -60.3 0 4 -1 74 315.389 2 ↓
Lo Low (pH 4.5-6) 2.35 7.6 -16.01 1 4 0 71 316.397 2 ↓

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

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