UCSF

ZINC06095509

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 14 Yes

CAS Number: 611-62-1

Other Names:

MFCD11895228

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) 2.99 -2 -6.6 2 2 0 40 186.21 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5068187 IBM Patent Data

Activity (Go SEA)

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