UCSF

ZINC34591021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 4.41 11.75 -49.98 2 4 1 47 367.513 5
Mid Mid (pH 6-8) 4.41 9.49 -13.06 1 4 0 45 366.505 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4349678; US4442291 IBM Patent Data

Activity (Go SEA)

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