UCSF

ZINC53817114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2010 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) -0.60 3.04 -51.38 3 3 1 50 207.297 3
Hi High (pH 8-9.5) -0.60 2.76 -4.73 2 3 0 48 206.289 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0804195A2; US5559124 IBM Patent Data

Activity (Go SEA)

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