UCSF

ZINC35622687

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 29 Yes

Popular Name: 5-[(2S)-1-acetyl-2-(5-methyl-2-furyl)-2,3-dihydro-1,5-benzodiazepin-4-yl]-4-hydroxy-3H-1,3-thiazine- 5-[(2S)-1-acetyl-2-(5-methyl-2-f…

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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) 2.11 5.29 -42.8 1 8 -1 119 410.431 2 ↓
Lo Low (pH 4.5-6) 2.57 2.76 -119.11 0 8 -2 122 409.423 2 ↓

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

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