UCSF

ZINC01532365

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 24 Yes

Popular Name: ICI-118587 ICI-118587

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73210-73-8 , 81801-12-9 , 90730-93-1 , [73210-73-8]

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) 0.38 -1.41 -59.89 5 8 1 108 340.4 8 ↓
Hi High (pH 8-9.5) 0.38 -2.81 -16.03 4 8 0 103 339.392 8 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4143140 IBM Patent Data

Activity (Go SEA)

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