UCSF

ZINC19954887

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 34 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) 2.92 7.85 -60.38 3 10 1 118 469.518 10
Hi High (pH 8-9.5) 2.92 5.61 -22.76 2 10 0 117 468.51 10

Activity (Go SEA)

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