UCSF

ZINC00000744

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 0.64 -0.75 -14.14 1 5 0 72 306.358 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5250735; US5281622; US5663196; US5905089; WO1995006476A1; WO2000055338A1 IBM Patent Data

Activity (Go SEA)

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