UCSF

ZINC05380465

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 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) 1.89 1.82 -9.17 0 2 0 26 164.204 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0481705A1; US5041669; US5198585; US5220063; US5292719; US5338884; US5349090; US5393924; US5399764; US5401720; US5457231; US5466873; WO1995019948A1 IBM Patent Data

Activity (Go SEA)

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