UCSF

ZINC12496354

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 20 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) 3.19 4.64 -3.88 2 2 0 40 276.42 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4013688; US6117429 IBM Patent Data

Activity (Go SEA)

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