UCSF

ZINC60118091

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 28 Yes

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

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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) 4.03 12.05 -53.21 2 6 0 76 398.532 4 ↓
Hi High (pH 8-9.5) 4.03 10.24 -53.25 1 6 0 75 397.524 4 ↓
Lo Low (pH 4.5-6) 4.03 11.97 -60.53 3 6 0 77 399.54 4 ↓

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

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