UCSF

ZINC46345399

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2010 16 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) 2.44 6.88 -34.36 2 2 1 25 218.32 7
Hi High (pH 8-9.5) 2.44 4.15 -3.37 1 2 0 23 217.312 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP1059283A1 IBM Patent Data

Activity (Go SEA)

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