UCSF

ZINC34463600

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 32 No

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) 7.03 11.63 -10.74 2 3 0 58 438.652 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0410554A3; US5145847 IBM Patent Data

Activity (Go SEA)

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