UCSF

ZINC04521286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2005 11 No

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) 3.24 0.61 -41.22 0 2 -1 40 222.102 6

Vendor Notes

Note Type Comments Provided By
BP 164 / 21 TCI
PUBCHEM_PATENT_ID EP0287356A2; EP0363085A2; EP0392803A1; EP0402056A2 IBM Patent Data

Activity (Go SEA)

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