UCSF

ZINC63013185

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 20 Yes

Popular Name: (2R)-2-(cyclopropylamino)-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methyl-propanenitrile (2R)-2-(cyclopropylamino)-3-(3,5…

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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) 1.98 4.9 -9.96 1 4 0 48 271.364 4 ↓
Lo Low (pH 4.5-6) 1.98 7.11 -45.02 2 4 1 49 272.372 4 ↓
Lo Low (pH 4.5-6) 1.98 5.98 -42.47 2 4 1 53 272.372 4 ↓

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

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