UCSF

ZINC34626489

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 22 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) 1.68 6.39 -17.81 1 7 0 87 307.302 7
Hi High (pH 8-9.5) 2.13 5.25 -52.89 0 7 -1 90 306.294 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0343574A1; EP0343574B1; US5081121 IBM Patent Data

Activity (Go SEA)

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