UCSF

ZINC59689529

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 15 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) 1.61 2.97 -32.8 3 3 1 37 213.345 3
Lo Low (pH 4.5-6) 1.61 4.12 -104.37 4 3 2 41 214.353 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4254135 IBM Patent Data

Activity (Go SEA)

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