UCSF

ZINC09422379

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 31 No

Popular Name: 7-ethyl-10-oxo-4-[4-(3-pyridylthiocarbamoyl)piperazin-1-yl]-3,5,7-triazabicyclo[4.4.0]deca-1,3,5,8-t 7-ethyl-10-oxo-4-[4-(3-pyridylth…

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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) 1.08 -4.17 -66.38 1 10 -1 119 438.493 6 ↓
Lo Low (pH 4.5-6) 1.08 -4.06 -94.45 2 10 0 120 439.501 6 ↓

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

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