UCSF

ZINC00575921

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 31 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) 4.25 12.83 -18.66 0 5 0 50 420.553 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4810721 IBM Patent Data

Activity (Go SEA)

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