UCSF

ZINC42454508

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.27 5.06 -48.4 2 5 1 70 250.322 7
Mid Mid (pH 6-8) 0.27 3.01 -10.79 1 5 0 69 249.314 7

Activity (Go SEA)

Rings

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