UCSF

ZINC39286055

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 17 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) 3.12 4.36 -5.14 1 2 0 29 246.228 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4170597; US4172839; US4178456; US4197245; US4197407; US4202822; US4202988; US4212969; US4235797; US4243817; US4245121; US4254285; US4297516 IBM Patent Data

Activity (Go SEA)

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