UCSF

ZINC05432961

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 26 Yes

Popular Name: 3-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one 3-{[5-(4-methoxyphenyl)-4H-1,2,4…

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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) 3.78 8.37 -12.67 2 6 0 80 366.446 4 ↓
Mid Mid (pH 6-8) 3.78 8.12 -13.77 2 6 0 80 366.446 4 ↓

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

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