UCSF

ZINC03932290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 24 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) 2.22 -0.96 -22.95 2 5 0 71 329.396 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1027335A1; WO1999023075A1 IBM Patent Data

Activity (Go SEA)

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