UCSF

ZINC43252009

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) 2.90 2.91 -43.08 4 3 1 51 317.906 6
Hi High (pH 8-9.5) 2.90 2.6 -3.38 3 3 0 49 316.898 6
Mid Mid (pH 6-8) 2.90 4.37 -32.87 4 3 1 51 317.906 6
Mid Mid (pH 6-8) 2.90 4.67 -113.26 5 3 2 52 318.914 6

Activity (Go SEA)

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