UCSF

ZINC63959138

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 24 No

Popular Name: 1-[(2R)-3-acetyl-2,4-dimethyl-2H-pyrrol-5-yl]-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone 1-[(2R)-3-acetyl-2,4-dimethyl-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) 1.46 5.15 -10.81 0 5 0 59 326.396 4 ↓
Lo Low (pH 4.5-6) 1.46 6.02 -46.72 1 5 1 61 327.404 4 ↓
Lo Low (pH 4.5-6) 1.46 7.17 -43.28 1 5 1 60 327.404 4 ↓

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

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