UCSF

ZINC60118538

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 3-[4-(3,7-dimethyl-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3,7-dimethyl-5H-thieno[3,2…

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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) 4.46 12.68 -54.47 2 6 0 76 412.559 4 ↓
Hi High (pH 8-9.5) 4.46 11.29 -42.73 1 6 0 75 411.551 4 ↓
Lo Low (pH 4.5-6) 4.46 12.59 -61.17 3 6 0 77 413.567 4 ↓

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

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