UCSF

ZINC32211054

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 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) 0.93 1.19 -5.85 1 3 0 39 176.256 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0641323A1; US5594006; WO1994021612A1 IBM Patent Data

Activity (Go SEA)

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