UCSF

ZINC52213965

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 16 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) 0.71 6.55 -38.73 3 2 1 33 219.352 1
Hi High (pH 8-9.5) 0.71 6.24 -3.57 2 2 0 31 218.344 1

Activity (Go SEA)

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