UCSF

ZINC43914856

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.63 8.78 -129.58 3 4 2 40 294.439 8
Mid Mid (pH 6-8) 3.63 7.74 -39.72 2 4 1 35 293.431 8
Mid Mid (pH 6-8) 3.63 6.86 -39.83 2 4 1 38 293.431 8

Activity (Go SEA)

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