UCSF

ZINC06117827

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 13 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) 3.44 7.51 -5.86 0 1 0 13 172.227 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0368670A1; EP0369810A2; EP0658539A1; EP0703218A1; US4937246; US4997836; US5446051; US5576323; US5843997 IBM Patent Data

Activity (Go SEA)

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