UCSF

ZINC19939879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 No

CAS Numbers: 146-78-1 , 21679-14-1

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) -0.37 -4.46 -17.49 5 9 0 140 285.235 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010668A1; EP0355135A1; EP0355135B1; EP0464137A1; EP0614462A1; EP0614462B1; EP0670845A1; EP0670845B1; EP0763049A1; EP0817790A1; EP0831873A1; US4309419; US4381344; US4481197; US4997926; US5602246; US5668270; WO1990011081A1; WO1993016706A1; WO1994012514A1 IBM Patent Data

Activity (Go SEA)

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