UCSF

ZINC34276035

Substance Information

In ZINC since Heavy atoms Benign functionality
August 21st, 2009 17 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) 3.14 6.17 -42.06 3 2 1 37 234.363 5
Hi High (pH 8-9.5) 3.14 4.76 -2.97 2 2 0 32 233.355 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0417187A1; US5112990 IBM Patent Data

Activity (Go SEA)

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