UCSF

ZINC00206129

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 4.09 -3.95 -9.24 4 4 0 82 345.427 3
Lo Low (pH 4.5-6) 4.09 -3.84 -30.35 5 4 1 83 346.435 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000061586A1 IBM Patent Data

Activity (Go SEA)

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