UCSF

ZINC70004317

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 36 No

Popular Name: 3-[(4aR,8aS)-1,4-dioxo-4a,5,8,8a-tetrahydro-3H-phthalazin-2-yl]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4- 3-[(4aR,8aS)-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) 2.40 11.62 -19.41 1 8 0 88 483.572 5 ↓
Mid Mid (pH 6-8) 2.59 9.92 -60.84 0 8 -1 94 482.564 5 ↓

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

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