UCSF

ZINC43426454

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.76 5.42 -10.06 0 4 0 39 289.375 4
Lo Low (pH 4.5-6) 2.76 7.57 -40.72 1 4 1 40 290.383 4

Activity (Go SEA)

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