UCSF

ZINC41363239

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 0.79 0.89 -3.25 0 4 0 25 228.336 3
Mid Mid (pH 6-8) 0.79 3.17 -37.79 1 4 1 26 229.344 3
Mid Mid (pH 6-8) 0.79 2.83 -37.08 1 4 1 26 229.344 3
Lo Low (pH 4.5-6) 0.79 5.08 -115.69 2 4 2 27 230.352 3

Activity (Go SEA)

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