UCSF

ZINC41728548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 11 No

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) 1.13 2.97 -9.46 1 3 0 42 235.106 2
Hi High (pH 8-9.5) 1.31 1.77 -36.72 0 3 -1 48 234.098 2

Activity (Go SEA)

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