UCSF

ZINC39952412

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 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) 2.59 7.43 -69.21 2 4 0 57 276.38 5
Hi High (pH 8-9.5) 2.59 6.64 -78.66 2 4 0 60 276.38 5
Mid Mid (pH 6-8) 2.59 5.27 -48.51 1 4 -1 55 275.372 5
Lo Low (pH 4.5-6) 2.59 8.79 -147.58 3 4 1 61 277.388 5

Activity (Go SEA)

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