UCSF

ZINC19885642

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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) 2.01 5.95 -47.58 2 3 1 43 214.672 5
Mid Mid (pH 6-8) 2.01 4.55 -6.81 1 3 0 38 213.664 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5677448 IBM Patent Data

Activity (Go SEA)

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