UCSF

ZINC31561313

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 14 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) -1.65 -1.38 -12.4 3 7 0 104 196.166 2
Mid Mid (pH 6-8) -1.19 -2.75 -38.66 2 7 -1 107 195.158 2

Activity (Go SEA)

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