UCSF

ZINC10474858

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2007 16 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) 4.80 1.08 -40.46 2 1 1 16 220.38 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1994016685A1 IBM Patent Data

Activity (Go SEA)

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