UCSF

ZINC43894205

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) 2.50 8.69 -119.19 3 3 2 34 263.429 6
Hi High (pH 8-9.5) 2.50 7.87 -40.29 2 3 1 29 262.421 6
Hi High (pH 8-9.5) 2.50 5.98 -2.58 1 3 0 28 261.413 6
Mid Mid (pH 6-8) 2.50 6.71 -35.74 2 3 1 33 262.421 6

Activity (Go SEA)

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