UCSF

ZINC13347461

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 31 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) 2.43 10.18 -18.66 2 7 0 99 438.505 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4956474; US5064953 IBM Patent Data

Activity (Go SEA)

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