UCSF

ZINC41514743

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.70 11.87 -41.34 2 4 1 51 393.894 6
Hi High (pH 8-9.5) 5.70 10.08 -42.26 0 4 -1 52 391.878 6
Hi High (pH 8-9.5) 5.70 12.44 -22.76 1 4 0 54 392.886 6
Mid Mid (pH 6-8) 5.70 9.52 -11.92 1 4 0 49 392.886 6

Activity (Go SEA)

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