UCSF

ZINC13820223

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 28 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) 4.42 10.78 -46.21 1 4 1 42 417.982 2
Mid Mid (pH 6-8) 4.42 8.97 -8.21 0 4 0 41 416.974 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4886798 IBM Patent Data

Activity (Go SEA)

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