UCSF

ZINC41046882

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.61 6.27 -31.05 3 2 1 30 219.352 3
Mid Mid (pH 6-8) 0.61 6.61 -116.31 4 2 2 32 220.36 3

Activity (Go SEA)

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