UCSF

ZINC34420759

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 29 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) 4.47 7.16 -13.27 2 6 0 93 448.025 15

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0405391A1; US5153214 IBM Patent Data

Activity (Go SEA)

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