UCSF

ZINC67489941

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 25 Yes

Popular Name: (2S)-3-amino-2-hydroxy-1-[9-hydroxy-7-(o-tolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propan-1-one (2S)-3-amino-2-hydroxy-1-[9-hydr…

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Download: MOL2 SDF SMILES Flexibase

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) 0.74 2.54 -59.87 5 6 1 98 343.403 3 ↓
Hi High (pH 8-9.5) 0.74 3.27 -52.22 4 6 0 100 342.395 3 ↓
Hi High (pH 8-9.5) 0.74 2.1 -12.6 4 6 0 96 342.395 3 ↓

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

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