UCSF

ZINC26507367

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.61 5.74 -9.41 1 5 0 64 252.277 3
Ref Reference (pH 7) 2.61 5.73 -9.06 1 5 0 64 252.277 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4011218; US4071518; US4102889; US4156085; US4198513; US4256887 IBM Patent Data

Activity (Go SEA)

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