UCSF

ZINC00391159

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 Yes

Popular Name: lumiflavin lumiflavin

Find On: PubMed — Wikipedia — Google

CAS Number: 1088-56-8

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) 1.59 -2.99 -16.17 1 6 0 80 256.265 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.18e-01 g/l DrugBank-experimental
PUBCHEM_PATENT_ID EP0099517A2; EP0112538A2; EP0156641A2; EP0156641B1; EP0229614A2; EP0229614B1; EP0279435A2; EP0279435B1; EP0461731A2; EP0461731B1; EP0586255A1; EP0627007A1; EP0627007B1; EP0756704B1; EP0801072A2; EP0813537A1; EP1048668A2; US4090877; US4152230; US4160645; U IBM Patent Data
Patent Database Links GB2283913; US2007212379 ChEBI
UniProt Database Links S52A1_HUMAN; S52A2_HUMAN; S52A2_MOUSE; S52A2_PAPHA; S52A2_PIG; S52A2_RAT; S52A3_AILME; S52A3_BOVIN; S52A3_HUMAN; S52A3_MOUSE; S52A3_RAT ChEBI

Activity (Go SEA)

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