UCSF

ZINC01732341

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 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) 4.11 1.28 -2.39 0 1 0 9 184.666 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0348766A2; EP0348766B1; EP0498188A2; EP0498188B1; EP0678505A1; EP0678505B1; EP0679636A1; US5446067 IBM Patent Data

Activity (Go SEA)

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