UCSF

ZINC60118084

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Substance Information

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

Popular Name: 3-[4-(3-chloro-5H-thieno[3,2-c][1,5]benzodiazepin-4-yl)piperazin-1-yl]-2,2-dimethyl-propanoic 3-[4-(3-chloro-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) 4.26 12.03 -45.64 2 6 0 76 418.95 4 ↓
Hi High (pH 8-9.5) 4.26 10.47 -47.46 1 6 -1 75 417.942 4 ↓
Lo Low (pH 4.5-6) 4.26 11.96 -79.97 3 6 1 77 419.958 4 ↓

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

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