UCSF

ZINC28644106

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 21 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) 4.44 10.15 -47.18 1 3 1 31 329.247 3
Hi High (pH 8-9.5) 4.44 7.77 -5.18 0 3 0 30 328.239 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0756596A1; US5736556 IBM Patent Data

Activity (Go SEA)

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