UCSF

ZINC65527527

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 23 No

Popular Name: (3aR,6aR)-2-methyl-N-[[(4S)-3-(2-thienyl)-4H-pyrazol-4-yl]methyl]-1,3,3a,4,5,6-hexahydropyrrolo[3,4- (3aR,6aR)-2-methyl-N-[[(4S)-3-(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) 1.23 1.33 -63.61 3 6 1 74 332.453 4 ↓
Hi High (pH 8-9.5) 1.23 -0.11 -16.63 2 6 0 69 331.445 4 ↓
Lo Low (pH 4.5-6) 1.23 2.59 -53.63 3 6 1 70 332.453 4 ↓
Lo Low (pH 4.5-6) 1.23 4.03 -131.06 4 6 2 75 333.461 4 ↓

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

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