UCSF

ZINC33801792

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 12 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) 1.20 3.83 -94.85 4 2 2 33 170.3 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0481254A2; EP0481254B1; EP0905136A1; EP1015451A1; US5215967 IBM Patent Data

Activity (Go SEA)

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