UCSF

ZINC43262878

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 1.79 4.89 -54.53 3 3 1 55 329.287 6
Hi High (pH 8-9.5) 1.79 4.72 -5.47 2 3 0 53 328.279 6

Activity (Go SEA)

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