UCSF

ZINC34422293

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 22 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) 3.11 5.57 -9.88 1 5 0 59 302.374 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5994344; US6057457; WO1997036903A1 IBM Patent Data

Activity (Go SEA)

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