UCSF

ZINC34580653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 13 Yes

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) 2.14 2.73 -7.46 1 3 0 47 245.072 2
Mid Mid (pH 6-8) 2.14 3.65 -41.22 0 3 -1 49 244.064 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0901476A1; EP0920318A1; US6124300; WO1997035580A1; WO1997035846A1 IBM Patent Data

Activity (Go SEA)

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