UCSF

ZINC04783551

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 25 No

CAS Number: 1882-82-2

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) 1.76 0.36 -10.43 1 4 0 71 344.451 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4221725; US4230621; US4269778; US4345096; WO1997038015A1 IBM Patent Data

Activity (Go SEA)

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