UCSF

ZINC58563822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 26 No

Popular Name: MONASCIN MONASCIN

Find On: PubMed — Wikipedia — Google

CAS Number: 21516-68-7

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) 2.40 10.77 -20.51 0 5 0 70 358.434 6 ↓
Hi High (pH 8-9.5) 2.99 9.55 -41.07 0 5 -1 76 357.426 5 ↓

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

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