UCSF

ZINC34547934

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 0.56 6.7 -127.86 3 7 1 77 349.455 7
Mid Mid (pH 6-8) 0.56 4.49 -78.15 2 7 0 76 348.447 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5994356 IBM Patent Data

Activity (Go SEA)

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