UCSF

ZINC43248775

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 2.07 3.48 -106.79 6 4 2 75 311.495 7
Hi High (pH 8-9.5) 2.07 1.78 -6.32 4 4 0 72 309.479 7
Hi High (pH 8-9.5) 2.07 2.09 -45.65 5 4 1 74 310.487 7
Mid Mid (pH 6-8) 2.07 3.2 -28.78 5 4 1 74 310.487 7

Activity (Go SEA)

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