UCSF

ZINC78034404

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2012 27 No

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) 7.14 15.29 -5.99 0 2 0 34 362.513 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0636598B1; US5412124; US5476955; US5608092; US5677471; US5686635 IBM Patent Data

Activity (Go SEA)

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