UCSF

ZINC62961198

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 No

Popular Name: 5-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2,3-dihydrophthalazine-1,4-dione 5-[[(3S)-1,1-dioxothiolan-3-yl]a…

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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 -3.34 -53.4 2 7 -1 115 294.312 2 ↓
Lo Low (pH 4.5-6) 1.08 -4.07 -18.85 3 7 0 112 295.32 2 ↓

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

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