UCSF

ZINC65534464

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 22 Yes

Popular Name: (3aR,4S)-4-(5-methoxy-2-pyrazol-1-yl-phenyl)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridine (3aR,4S)-4-(5-methoxy-2-pyrazol-…

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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) 1.70 6.07 -30.63 3 6 1 69 296.354 3 ↓
Mid Mid (pH 6-8) 1.70 5.55 -12.28 2 6 0 68 295.346 3 ↓
Mid Mid (pH 6-8) 1.70 6.93 -38.56 3 6 1 72 296.354 3 ↓

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

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