UCSF

ZINC13532030

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 12 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) -1.54 1.41 -95.46 3 5 -1 108 174.176 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5981492 IBM Patent Data

Activity (Go SEA)

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