UCSF

ZINC43405001

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.73 3.62 -11.72 5 5 0 94 268.32 3
Lo Low (pH 4.5-6) 1.73 3.68 -28.57 6 5 1 95 269.328 3

Activity (Go SEA)

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