UCSF

ZINC19834790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) -1.34 1.5 -93.11 4 5 2 56 230.356 5
Hi High (pH 8-9.5) -1.34 1.14 -38.74 3 5 1 54 229.348 5
Hi High (pH 8-9.5) -1.34 -1.18 -8.81 2 5 0 53 228.34 5
Mid Mid (pH 6-8) -1.34 1.51 -109.45 4 5 2 56 230.356 5
Mid Mid (pH 6-8) -1.34 3.91 -174.01 5 5 3 57 231.364 5

Activity (Go SEA)

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