UCSF

ZINC43448126

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) -0.37 3.53 -109.36 4 5 2 56 286.464 8
Hi High (pH 8-9.5) -0.37 1.41 -8.67 2 5 0 53 284.448 8
Hi High (pH 8-9.5) -0.37 1.78 -50.5 3 5 1 54 285.456 8
Mid Mid (pH 6-8) -0.37 4.04 -101.95 4 5 2 56 286.464 8

Activity (Go SEA)

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