UCSF

ZINC22030817

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 19 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) 1.70 4.35 -40.21 2 4 1 37 265.377 5
Mid Mid (pH 6-8) 1.70 1.88 -6.09 1 4 0 36 264.369 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0228192A2 IBM Patent Data

Activity (Go SEA)

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