UCSF

ZINC39392275

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 24 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) 2.52 3.29 -12.65 0 6 0 65 353.44 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3937702; US4051154; US4072495; US4157255; US4345932 IBM Patent Data

Activity (Go SEA)

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