UCSF

ZINC26513488

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 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) -0.97 -1.64 -48.28 4 5 1 69 230.332 5
Mid Mid (pH 6-8) -0.97 0.17 -34.97 4 5 1 69 230.332 5
Mid Mid (pH 6-8) -0.97 0.49 -105.15 5 5 2 70 231.34 5

Activity (Go SEA)

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