UCSF

ZINC05734823

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 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) 1.78 4.26 -5.86 1 2 0 29 161.204 1
Ref Reference (pH 7) 1.78 4.25 -5.85 1 2 0 29 161.204 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0511879A1; EP0511879B1; US5459142 IBM Patent Data

Activity (Go SEA)

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