UCSF

ZINC34318052

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 20 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) 1.24 5.32 -45.68 3 5 1 62 277.392 3
Mid Mid (pH 6-8) 1.24 5.27 -45.48 3 5 1 62 277.392 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4826986; US4977160; US5134143 IBM Patent Data

Activity (Go SEA)

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