UCSF

ZINC38578617

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 35 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) 5.42 13.26 -16.03 1 7 0 85 504.023 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0303546B1; US4927955; US5041606; US5347037 IBM Patent Data

Activity (Go SEA)

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