UCSF

ZINC37874941

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 21 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) 3.22 4.7 -8.18 2 4 0 51 287.359 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0426804A1; EP0426804B1 IBM Patent Data

Activity (Go SEA)

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