UCSF

ZINC39500599

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 33 No

Popular Name: (1R,9aS)-2-[[(3S)-5-isobutyl-3H-pyrazol-3-yl]methyl]-1-[(2R)-3-methyl-1,2-dihydrobenzimidazol-2-yl]- (1R,9aS)-2-[[(3S)-5-isobutyl-3H-…

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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) 5.73 9.23 -9.24 2 6 0 59 440.595 5 ↓
Mid Mid (pH 6-8) 5.73 11.4 -36.9 3 6 1 60 441.603 5 ↓

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

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