UCSF

ZINC34420378

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 34 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) 8.19 14.37 -52.93 1 6 -1 88 471.614 14

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5025036; US5191108 IBM Patent Data

Activity (Go SEA)

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