UCSF

ZINC79205690

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2012 10 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) 2.71 3.71 -1.86 1 1 0 20 142.242 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0971904A1 IBM Patent Data

Activity (Go SEA)

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