UCSF

ZINC42304952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) -2.65 -0.17 -81.87 4 7 0 109 231.252 3
Mid Mid (pH 6-8) -2.65 -1.55 -58.85 3 7 -1 105 230.244 3

Activity (Go SEA)

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