UCSF

ZINC31870188

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) 1.07 2.56 -8.55 1 3 0 41 185.267 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0173481A2; EP0486478A3; US4880781 IBM Patent Data

Activity (Go SEA)

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