UCSF

ZINC28473096

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 21 No

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) -0.16 2.06 -15.44 3 7 0 111 287.275 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0925294A1; WO1998003502A1; WO1998054170A1 IBM Patent Data

Activity (Go SEA)

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