UCSF

ZINC31868336

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 0.67 3.7 -48.94 3 6 1 79 295.388 4
Hi High (pH 8-9.5) 0.67 0.57 -30.82 2 6 0 78 294.38 4
Hi High (pH 8-9.5) 0.74 1.46 -46.91 2 6 0 86 294.38 4

Activity (Go SEA)

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