UCSF

ZINC43912439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 0.98 1.87 -30.68 2 4 1 38 231.36 8
Hi High (pH 8-9.5) 0.98 0.69 -2.67 1 4 0 34 230.352 8
Mid Mid (pH 6-8) 0.98 2.68 -28.82 2 4 1 35 231.36 8

Activity (Go SEA)

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