UCSF

ZINC05851613

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 14 Yes

CAS Number: 10138-63-3

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) 1.31 4.35 -6.17 1 3 0 47 194.23 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0187322A1; US3931302; US4009847; US4070479; US4760064 IBM Patent Data

Activity (Go SEA)

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