UCSF

ZINC06091129

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 24 No

CAS Number: 87547-04-4

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) 2.60 9.01 -48.93 0 6 -1 88 352.725 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0723534A1; EP0723534B1; EP0786453A1; EP0786453B1; EP0790771A1; EP0790771B1; EP0790984A1; EP0794946A1; EP0794947A1; EP0818949A1; EP0818949B1; EP0833827A1; EP0848710A1; EP0880509A1; EP0883682A1; EP0885201A1; EP0888361A1; EP0900023A1; EP0912093A1; EP092922 IBM Patent Data

Activity (Go SEA)

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