UCSF

ZINC17315465

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2008 17 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) 5.41 9.74 -5.27 0 1 0 12 284.573 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4176198; US4187317; US4198349; US4230727; US4235929 IBM Patent Data

Activity (Go SEA)

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