UCSF

ZINC06126092

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 12 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) 1.20 5.38 -7.32 0 2 0 20 161.204 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0462812A2; EP0462812B1; EP0623614A1; EP0623614B1 IBM Patent Data
PUBCHEM_PATENT_ID WO2000058294A1 IBM Patent Data

Activity (Go SEA)

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