UCSF

ZINC00330715

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 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) 3.09 -0.58 -6.24 1 2 0 29 200.237 3

Vendor Notes

Note Type Comments Provided By
BP 200 / 5 TCI
MP 50 TCI
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0729956A1; US5856340 IBM Patent Data

Activity (Go SEA)

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