UCSF

ZINC34684026

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 22 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) 3.03 10.69 -65.82 1 5 0 61 320.776 4
Mid Mid (pH 6-8) 3.03 8.45 -50.82 0 5 -1 60 319.768 4

Activity (Go SEA)

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