UCSF

ZINC38654627

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 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) 0.94 1.12 -43.08 4 2 1 48 170.276 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0431955A2; EP0431955B1; US5146003 IBM Patent Data

Activity (Go SEA)

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