UCSF

ZINC78637078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2012 13 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) 1.15 0.38 -7.43 1 3 0 42 180.203 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0311926A2; US5277895; US5871709 IBM Patent Data

Activity (Go SEA)

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