UCSF

ZINC33961369

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2009 9 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) 0.72 1.12 -37.2 3 2 1 37 130.211 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0238319A1; US4880827; US5051444 IBM Patent Data

Activity (Go SEA)

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