UCSF

ZINC14642552

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 21 No

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) 1.16 -4.33 -11.62 5 6 0 110 290.271 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1027345A1; WO1998007836A1; WO1999019319A1 IBM Patent Data

Activity (Go SEA)

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