UCSF

ZINC69928841

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 29 No

Popular Name: 3-[(4aS,8aR)-1,4-dioxo-4a,5,8,8a-tetrahydro-3H-phthalazin-2-yl]-N-(4-ethyl-5-methyl-thiazol-2-yl)ben 3-[(4aS,8aR)-1,4-dioxo-4a,5,8,8a…

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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) 2.90 8.02 -16.3 2 7 0 91 410.499 4 ↓
Mid Mid (pH 6-8) 3.09 6.31 -51.29 1 7 -1 98 409.491 4 ↓

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

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