UCSF

ZINC11616628

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2008 33 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) -4.06 -7.16 -101.58 4 14 -1 210 518.579 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4479947; US4654331 IBM Patent Data

Activity (Go SEA)

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