UCSF

ZINC36467935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 18 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) 4.31 9.76 -4.66 0 1 0 9 236.314 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6140354; WO1999055667A1 IBM Patent Data

Activity (Go SEA)

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