UCSF

ZINC08581462

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 13 Yes

Popular Name: 6-Amino-2,3-dihydrophthalazine-1,4-dione 6-Amino-2,3-dihydrophthalazine-1…

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CAS Numbers: 3682-14-2 , [3682-14-2]

Download: MOL2 SDF SMILES Flexibase

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) 0.14 -3.41 -45.1 3 5 -1 95 176.155 0 ↓
Lo Low (pH 4.5-6) 0.14 -4.14 -9.74 4 5 0 92 177.163 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.43e+00 g/l DrugBank-experimental
Purity 98% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TGT-1-B Queuine TRNA-ribosyltransferase (cluster #1 Of 2), Bacterial Bacteria 8300 0.55 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TGT_ZYMMO P28720 TRNA-guanine Transglycosylase, Zymmo 8300 0.55 Binding ≤ 10μM

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