UCSF

ZINC52584994

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2010 22 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) 2.81 6.89 -34.08 1 3 1 11 326.867 5
Hi High (pH 8-9.5) 2.81 4.44 -3.61 0 3 0 10 325.859 5
Mid Mid (pH 6-8) 2.81 9.17 -82.14 2 3 2 12 327.875 5

Activity (Go SEA)

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