UCSF

ZINC34132570

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 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) 1.02 9.47 -61.26 0 4 -1 62 294.689 2
Lo Low (pH 4.5-6) 1.02 7.47 -12.11 1 4 0 59 295.697 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4705788 IBM Patent Data

Activity (Go SEA)

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