UCSF

ZINC09422184

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 30 No

Popular Name: 4-(1H-indol-4-ylmethylene)-2,2-dioxo-3-(3-pyridylmethyl)-2$l^{6}-thia-3-azabicyclo[4.4.0]deca-7,9,11 4-(1H-indol-4-ylmethylene)-2,2-d…

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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) 3.20 -3.35 -14.25 1 6 0 83 415.474 3 ↓
Lo Low (pH 4.5-6) 3.20 -3.24 -36.76 2 6 1 84 416.482 3 ↓

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

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