UCSF

ZINC60118316

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 29 Yes

Popular Name: 3-[4-(3-methoxy-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3-methoxy-5H-thieno[3,2-c]…

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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) 3.64 11.72 -48.7 2 7 0 86 414.531 5 ↓
Hi High (pH 8-9.5) 3.64 10.22 -48.41 1 7 -1 85 413.523 5 ↓
Lo Low (pH 4.5-6) 3.64 11.68 -81.62 3 7 1 86 415.539 5 ↓

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

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