UCSF

ZINC39387308

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 17 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) 3.48 9.45 -39.64 1 2 1 8 251.781 3
Hi High (pH 8-9.5) 3.48 7.24 -2.5 0 2 0 6 250.773 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4518712 IBM Patent Data

Activity (Go SEA)

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