UCSF

ZINC13130106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 18 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) 1.71 -3.57 -8.81 3 6 0 98 247.254 2
Hi High (pH 8-9.5) 1.71 -0.65 -52.51 2 6 -1 101 246.246 2
Hi High (pH 8-9.5) 1.26 -0.88 -47.9 2 6 -1 98 246.246 2
Hi High (pH 8-9.5) 1.71 -1.76 -52.65 2 6 -1 101 246.246 2
Hi High (pH 8-9.5) 1.26 -1.16 -62.13 2 6 -1 98 246.246 2

Activity (Go SEA)

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