UCSF

ZINC65493541

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 17 Yes

Popular Name: (3aR,4R)-4-[(4S,5S)-2-ethyl-5-methyl-4,5-dihydro-1H-imidazol-4-yl]-4,5,6,7-tetrahydro-3aH-imidazo[4, (3aR,4R)-4-[(4S,5S)-2-ethyl-5-me…

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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) 0.95 3.06 -86.88 5 5 2 68 235.335 2 ↓
Hi High (pH 8-9.5) 0.95 2.78 -24.63 4 5 1 67 234.327 2 ↓

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

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