UCSF

ZINC22060664

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 21 No

CAS Number: 3131-23-5

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) 2.98 5.13 -9.61 2 3 0 58 286.371 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997011374A1 IBM Patent Data

Activity (Go SEA)

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