UCSF

ZINC17313351

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 20 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) 4.23 10.79 -39.73 2 1 1 17 266.408 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3992441; US4124590; US4138399; US4377521 IBM Patent Data

Activity (Go SEA)

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