UCSF

ZINC34578491

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 No

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) 0.04 1.02 -8.28 2 4 0 58 204.229 3
Hi High (pH 8-9.5) 0.04 0.99 -10.17 2 4 0 58 204.229 3
Mid Mid (pH 6-8) 0.23 -0.28 -43.06 2 4 0 69 204.229 3
Lo Low (pH 4.5-6) 0.23 -0.27 -43.08 2 4 0 69 204.229 3

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0302372A1; EP0302372B1 IBM Patent Data

Activity (Go SEA)

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