UCSF

ZINC39220815

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 12 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) 2.39 1.83 -3.74 2 2 0 40 174.284 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4088666; US4147530; US4156603 IBM Patent Data

Activity (Go SEA)

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