UCSF

ZINC15442181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2008 11 Yes

Other Names:

MFCD06637488

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) 2.61 7.47 -29.83 1 1 1 4 156.293 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0604494A1; EP0604494B1; US5580885; WO1993005038A1 IBM Patent Data

Activity (Go SEA)

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