UCSF

ZINC65507009

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 Yes

Popular Name: [5-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-morph [5-[(3-hydroxy-6-methyl-2-pyridy…

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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) 0.48 5.56 -66.27 2 8 1 89 372.449 3 ↓
Hi High (pH 8-9.5) 0.48 2.97 -49.25 0 8 -1 87 370.433 3 ↓
Mid Mid (pH 6-8) 0.48 2.33 -15.45 1 8 0 84 371.441 3 ↓
Mid Mid (pH 6-8) 0.48 4.43 -49.1 2 8 1 85 372.449 3 ↓
Mid Mid (pH 6-8) 0.48 3.36 -34.69 1 8 0 88 371.441 3 ↓

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

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