UCSF

ZINC39244243

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 10 No

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) 1.03 4.88 -31.12 1 2 1 14 142.222 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4308092; US4318956; US4406737; US5312863 IBM Patent Data

Activity (Go SEA)

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