UCSF

ZINC34334060

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 22 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) 3.20 6.05 -13.08 1 4 0 64 320.41 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0916654A1; US6121477 IBM Patent Data

Activity (Go SEA)

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