UCSF

ZINC43249366

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 3.09 5.92 -45.57 3 3 1 46 278.397 6
Hi High (pH 8-9.5) 3.09 5.63 -4.85 2 3 0 44 277.389 6

Activity (Go SEA)

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