UCSF

ZINC43252898

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.34 3.58 -41.31 3 4 1 49 321.894 10
Hi High (pH 8-9.5) 2.34 3.25 -2.59 2 4 0 48 320.886 10
Mid Mid (pH 6-8) 2.34 4.93 -29.86 3 4 1 49 321.894 10
Mid Mid (pH 6-8) 2.34 5.28 -107.76 4 4 2 51 322.902 10

Activity (Go SEA)

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