UCSF

ZINC65528446

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (3aS,4R,7aS)-4-[(2R)-4-methyl-2H-imidazol-2-yl]-1-(4-pyridylmethyl)-4,5,7,7a-tetrahydro-3aH-pyrazolo (3aS,4R,7aS)-4-[(2R)-4-methyl-2H…

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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) -0.35 3.05 -11.46 2 7 0 86 310.361 3 ↓
Mid Mid (pH 6-8) -0.35 3.52 -45.9 3 7 1 88 311.369 3 ↓
Lo Low (pH 4.5-6) -0.35 3.98 -84.52 4 7 2 89 312.377 3 ↓

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

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