UCSF

ZINC03943600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2005 40 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.48 2.15 -56.1 1 13 -1 161 549.564 14
Mid Mid (pH 6-8) 3.48 2.28 -65.08 2 13 0 163 550.572 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5616599; US5646171 IBM Patent Data

Activity (Go SEA)

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