UCSF

ZINC36156978

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 14 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) 2.71 4.37 -5.07 1 2 0 29 194.274 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0411150A1; EP0411150B1; US5238938; US5459142 IBM Patent Data

Activity (Go SEA)

Rings

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