UCSF

ZINC41800305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 13 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) -1.15 1.06 -35.19 3 4 0 77 189.255 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4914232; US5089614 IBM Patent Data

Activity (Go SEA)

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