UCSF

ZINC38538589

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 20 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) 4.86 8.49 -6.66 1 2 0 33 304.176 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0252713A1; US4960785; US5064852 IBM Patent Data

Activity (Go SEA)

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