UCSF

ZINC36518391

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 2.36 5.94 -40.92 3 4 1 46 254.398 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0982300A2; EP0982300A3; WO2000006254A2 IBM Patent Data

Activity (Go SEA)

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