UCSF

ZINC36533781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 15 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) 2.28 5.65 -7.18 0 2 0 34 216.158 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US6166015; WO2000031032A1 IBM Patent Data

Activity (Go SEA)

Rings

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