UCSF

ZINC35391209

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.94 6.39 -31.51 2 3 0 57 187.283 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0226304A1; EP0226304B1; US4757066 IBM Patent Data

Activity (Go SEA)

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