UCSF

ZINC65493975

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 No

Popular Name: 1-[(3aS)-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)eth 1-[(3aS)-3a,4,6,7-tetrahydropyra…

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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) 1.10 6.52 -56.14 1 6 1 59 313.381 2 ↓
Mid Mid (pH 6-8) 1.10 4.49 -16.75 0 6 0 58 312.373 2 ↓

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

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