UCSF

ZINC39978678

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.01 0.31 -110.68 6 5 2 85 205.302 6
Hi High (pH 8-9.5) -1.01 -0.08 -46.42 5 5 1 83 204.294 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0912584A2; US6022892; WO1998003519A2 IBM Patent Data

Activity (Go SEA)

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