UCSF

ZINC11639162

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 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) 3.15 5.36 -8.13 1 2 0 29 183.295 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0064878A1; US4585774 IBM Patent Data

Activity (Go SEA)

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