UCSF

ZINC03652402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 10 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) -2.31 -3.91 -40.02 3 4 0 76 145.158 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000018790A1 IBM Patent Data

Activity (Go SEA)

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