UCSF

ZINC01597900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 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) 1.59 3.88 -14.13 0 4 0 45 180.159 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0337819A1; US4933355 IBM Patent Data

Activity (Go SEA)

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