UCSF

ZINC61785091

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2011 15 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) -0.47 4.8 -38.77 1 4 1 38 228.341 4
Mid Mid (pH 6-8) -0.47 2.49 -11.77 0 4 0 36 227.333 4

Activity (Go SEA)

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