UCSF

ZINC00002650

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2005 21 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) 4.29 -0.22 -38.41 2 2 1 24 286.439 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4150135; US4419517 IBM Patent Data

Activity (Go SEA)

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