UCSF

ZINC39384605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 13 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) -0.01 -0.56 -35.73 3 4 1 55 188.247 1
Hi High (pH 8-9.5) -0.01 -1.64 -4.8 2 4 0 51 187.239 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4360531; US4466977 IBM Patent Data

Activity (Go SEA)

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