UCSF

ZINC19093343

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2008 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) 1.37 6.27 -51.71 1 3 0 45 185.267 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0596933A1; US5492919; WO1993002677A1 IBM Patent Data

Activity (Go SEA)

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