UCSF

ZINC34404336

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 24 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) 2.50 7.22 -13.4 2 4 0 54 341.48 7
Lo Low (pH 4.5-6) 2.50 7.69 -38.8 3 4 1 55 342.488 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0279681A2; US4987132 IBM Patent Data

Activity (Go SEA)

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