UCSF

ZINC34364977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 24 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) 5.99 11.67 -10.79 0 3 0 42 323.436 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0316011A2; EP0316011B1; US5075031 IBM Patent Data

Activity (Go SEA)

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