UCSF

ZINC22058544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 27 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) 4.43 13.18 -44.38 2 5 1 69 370.469 12
Mid Mid (pH 6-8) 4.43 12.16 -13.47 1 5 0 65 369.461 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0338508A2 IBM Patent Data

Activity (Go SEA)

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