UCSF

ZINC20210160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.17 5.07 -39.72 3 3 1 46 253.753 3
Hi High (pH 8-9.5) 2.17 3.78 -8.14 2 3 0 41 252.745 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0826673A1; US5972946 IBM Patent Data

Activity (Go SEA)

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