UCSF

ZINC39281019

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 1.62 6.18 -42.27 0 4 -1 66 187.215 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1005448A2; WO1999009000A2 IBM Patent Data

Activity (Go SEA)

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