UCSF

ZINC34130285

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 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) 3.62 9.07 -33.47 1 2 1 14 246.374 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0182815A1; US4588719 IBM Patent Data

Activity (Go SEA)

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