UCSF

ZINC05191554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2006 8 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) -0.60 -5.2 -7.22 2 3 0 49 118.132 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0362967A1; EP0362967B1; EP0366171A1; EP0366171B1; EP0437469A1; EP0437527A1; EP0693077A1; EP0693077B1; US4892865; US5051498; US5220003; US6153594; WO1994022887A1 IBM Patent Data

Activity (Go SEA)

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