UCSF

ZINC05303475

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 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) 0.20 3.32 -11.6 1 5 0 64 217.228 1
Lo Low (pH 4.5-6) 0.20 3.51 -47.63 2 5 1 65 218.236 1

Activity (Go SEA)

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