UCSF

ZINC03208326

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 22 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) 6.52 0.58 -2.72 1 1 0 20 300.486 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0094487A1; EP0205340A1; EP0209622A1; EP0893424A1; US4502974; US4620938; US4680137; US4701547; US5196140; US5348677 IBM Patent Data

Activity (Go SEA)

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