UCSF

ZINC10251462

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2007 32 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) 5.19 -0.05 -22.66 1 5 0 63 439.54 5
Mid Mid (pH 6-8) 5.19 0.19 -40.67 2 5 1 65 440.548 5

Activity (Go SEA)

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