UCSF

ZINC41055035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 22 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) 4.99 8.85 -38.07 2 4 1 52 313.764 4
Mid Mid (pH 6-8) 4.99 8.43 -9.62 1 4 0 51 312.756 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5216165 IBM Patent Data

Activity (Go SEA)

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