UCSF

ZINC34589270

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 Yes

CAS Number: 55505-28-7

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) 4.93 6.95 -2.22 1 1 0 20 200.366 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000031211A1 IBM Patent Data

Activity (Go SEA)

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