UCSF

ZINC00000320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 25 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) 5.03 5.13 -38.15 1 1 1 4 348.432 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0371598A1; EP0371598B1; EP0929303A2; EP0994867A1; US5023073; US6096742; US6117855; WO1997041878A1; WO1998015277A2; WO1999001444A1 IBM Patent Data

Activity (Go SEA)

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