UCSF

ZINC00051924

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 Yes

Popular Name: MARMESIN MARMESIN

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13849-08-6 , [13849-08-6]

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) 2.18 5.29 -12.21 1 4 0 60 246.262 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ANGS_PASSA ChEBI
Therapy mutagen SMDC MicroSource
PUBCHEM_PATENT_ID WO1997023234A1 IBM Patent Data
Patent Database Links WO2007107846 ChEBI

Activity (Go SEA)

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