UCSF

ZINC34335714

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 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) 0.82 0.99 -15.43 2 7 0 103 325.39 3
Mid Mid (pH 6-8) 0.82 0.84 -39.59 1 7 -1 105 324.382 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5082858; US5151442 IBM Patent Data

Activity (Go SEA)

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