UCSF

ZINC00285862

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 18 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) 3.23 4.99 -38.5 3 3 1 46 252.378 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0221788A1; US4665094; WO1993003014A1 IBM Patent Data

Activity (Go SEA)

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