UCSF

ZINC19686016

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 15 Yes

Popular Name: MFCD16621946 MFCD16621946

Find On: PubMed — Wikipedia — Google

CAS Number: 1229627-52-4

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) 0.38 3.02 -60.39 3 4 1 55 207.253 2 ↓
Hi High (pH 8-9.5) 0.38 1.62 -13.13 2 4 0 50 206.245 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0382185A2; EP0382185B1; US5225402; US5436254; US5652247; WO1994001113A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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