UCSF

ZINC44229234

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.84 3.94 -1.83 1 2 0 29 174.284 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0322862A2; US5167863 IBM Patent Data

Activity (Go SEA)

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