UCSF

ZINC43254103

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 5.82 -116.7 5 4 2 61 319.902 7
Hi High (pH 8-9.5) 2.65 3.3 -5.7 3 4 0 58 317.886 7
Mid Mid (pH 6-8) 2.65 5.49 -38.67 4 4 1 60 318.894 7
Mid Mid (pH 6-8) 2.65 3.61 -49.03 4 4 1 60 318.894 7

Activity (Go SEA)

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