UCSF

ZINC04692014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2005 33 No

Popular Name: Myricitrin Myricitrin

Find On: PubMed — Wikipedia — Google

CAS Number: 17912-87-7

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) 0.35 -13.03 -21.58 8 12 0 210 464.379 3 ↓
Ref Reference (pH 7) 0.35 -8.94 -22.3 8 12 0 211 464.379 3 ↓
Hi High (pH 8-9.5) 0.35 -7.86 -60.91 7 12 -1 213 463.371 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0633022A2; EP0633022B1; EP0659347A1; EP0742012A2; EP0960572A1; EP1011630A1; EP1018896A1; US4211772; US4255563; US4772334; US5525594; US5650433; US6153208; WO1999013861A1; WO1999055303A1; WO1999058000A1; WO2000028986A1 IBM Patent Data

Activity (Go SEA)

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