UCSF

ZINC39253925

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 28 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) 3.37 2.83 -21.37 3 9 0 132 392.36 10
Hi High (pH 8-9.5) 3.37 3.83 -54.36 2 9 -1 135 391.352 10

Activity (Go SEA)

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