UCSF

ZINC25490206

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 16 No

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) -0.27 -3.14 -15.84 5 6 0 112 219.2 1
Mid Mid (pH 6-8) 0.19 -4.94 -46.77 4 6 -1 115 218.192 1

Activity (Go SEA)

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