UCSF

ZINC00017329

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 25 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) 2.41 8.24 -45.21 3 5 1 62 335.431 3
Lo Low (pH 4.5-6) 2.41 8.52 -79.95 4 5 2 63 336.439 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0882726A1; WO1998055115A1 IBM Patent Data

Activity (Go SEA)

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