UCSF

ZINC13783900

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 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) -0.82 -5.51 -25.24 4 9 0 133 302.674 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0346400A1; EP0499291A1; US4058659; US4861873 IBM Patent Data

Activity (Go SEA)

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