UCSF

ZINC59381019

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 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) 3.94 7.29 -3.57 0 1 0 9 178.275 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4105681; US4215215; US4224244; US4319048; US4532355; US4656310 IBM Patent Data

Activity (Go SEA)

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