UCSF

ZINC33789038

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 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) 1.36 5.06 -47.34 3 3 1 54 212.244 5
Mid Mid (pH 6-8) 1.36 4.71 -6.47 2 3 0 52 211.236 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0866705A1; WO1997014417A1 IBM Patent Data

Activity (Go SEA)

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