UCSF

ZINC33842549

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2009 11 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) 1.66 1.68 -3.16 2 2 0 40 156.225 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0839179A1 IBM Patent Data

Activity (Go SEA)

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