UCSF

ZINC45703464

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.09 5.59 -32.79 2 3 1 26 229.388 7
Hi High (pH 8-9.5) 2.09 3.99 -1.64 1 3 0 24 228.38 7
Mid Mid (pH 6-8) 2.09 5.16 -30.78 2 3 1 29 229.388 7
Mid Mid (pH 6-8) 2.09 6.91 -107.69 3 3 2 30 230.396 7

Activity (Go SEA)

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