UCSF

ZINC43453557

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -0.63 4.37 -108.64 4 4 2 52 229.368 5
Hi High (pH 8-9.5) -0.63 4.01 -40 3 4 1 51 228.36 5
Mid Mid (pH 6-8) -0.63 2.14 -50.66 3 4 1 51 228.36 5

Activity (Go SEA)

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