UCSF

ZINC43285798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 19 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) 1.03 -0.31 -44.56 4 4 1 54 349.318 5
Hi High (pH 8-9.5) 1.03 -0.65 -3.94 3 4 0 53 348.31 5
Mid Mid (pH 6-8) 1.03 2.03 -96.87 5 4 2 56 350.326 5

Activity (Go SEA)

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