UCSF

ZINC36984037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 No

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) 2.05 6.73 -46.14 0 4 -1 66 221.232 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0187322A1; US4760064 IBM Patent Data

Activity (Go SEA)

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