UCSF

ZINC09422101

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 32 No

Popular Name: 4-chloro-N-[2-(8-methoxy-2-quinolyl)-4-methyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-trien-3-yl]-be 4-chloro-N-[2-(8-methoxy-2-quino…

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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) 3.95 12.15 -21.36 2 8 0 97 446.898 4 ↓
Lo Low (pH 4.5-6) 3.77 -0.72 -33.65 3 8 1 95 447.906 4 ↓

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

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