UCSF

ZINC43984143

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 3.68 7.03 -2.87 1 2 0 15 288.357 8
Lo Low (pH 4.5-6) 3.68 9.09 -117.66 3 2 2 21 290.373 8

Activity (Go SEA)

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