UCSF

ZINC38810141

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 12 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) 0.27 1.41 -13.87 2 4 0 58 164.164 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5110986 IBM Patent Data

Activity (Go SEA)

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