UCSF

ZINC34362835

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 17 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) 0.36 -0.12 -9.89 2 5 0 70 237.255 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0505868A2; EP0505868B1; US5378712; US5545658; US5658928; US5670515; US5747522 IBM Patent Data

Activity (Go SEA)

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