UCSF

ZINC65528763

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 24 Yes

Popular Name: (3aR,4S)-4-[5-[(2R)-3-methyl-1,2-dihydrobenzimidazol-2-yl]-2-furyl]-4,5,6,7-tetrahydro-3aH-imidazo[4 (3aR,4S)-4-[5-[(2R)-3-methyl-1,2…

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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) 2.62 6.76 -44.56 4 6 1 74 322.392 2 ↓
Hi High (pH 8-9.5) 2.62 5.48 -11.57 3 6 0 69 321.384 2 ↓
Lo Low (pH 4.5-6) 2.62 6.42 -78.32 5 6 2 72 323.4 2 ↓
Lo Low (pH 4.5-6) 2.62 7.26 -97.55 5 6 2 75 323.4 2 ↓

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

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