UCSF

ZINC43912993

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 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) 1.07 3.67 -102.93 3 5 2 49 276.421 10
Hi High (pH 8-9.5) 1.07 1.39 -2.96 1 5 0 43 274.405 10
Hi High (pH 8-9.5) 1.07 1.77 -32.08 2 5 1 48 275.413 10
Mid Mid (pH 6-8) 1.07 2.57 -29.39 2 5 1 44 275.413 10

Activity (Go SEA)

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