UCSF

ZINC21995191

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 12 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) 2.77 5.76 -2.31 0 1 0 3 161.248 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0385038A1; EP0385038B1 IBM Patent Data

Activity (Go SEA)

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