UCSF

ZINC38458139

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2010 18 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) -0.16 5.73 -56.48 1 6 -1 96 250.23 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0918768A1; WO1997045424A1 IBM Patent Data

Activity (Go SEA)

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