UCSF

ZINC33832184

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2009 30 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) 6.62 7.77 -12.21 3 5 0 87 408.494 6
Hi High (pH 8-9.5) 6.62 8.46 -61.95 2 5 -1 90 407.486 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0703780A1; US5741821; US5859067; WO1994028886A1 IBM Patent Data

Activity (Go SEA)

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