UCSF

ZINC67935388

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2011 25 Yes

Popular Name: (2S)-N-ethyl-2-[9-hydroxy-7-(5-methyl-2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]propanamide (2S)-N-ethyl-2-[9-hydroxy-7-(5-m…

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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) 2.68 6.31 -41.39 3 5 1 63 361.487 4 ↓
Mid Mid (pH 6-8) 2.68 4.43 -13.16 2 5 0 62 360.479 4 ↓

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

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