UCSF

ZINC00060686

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 0.72 5.19 -11.02 0 4 0 47 199.25 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0985671A1; EP0992240A1; EP1048666A1; US6018046 IBM Patent Data

Activity (Go SEA)

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