UCSF

ZINC40939356

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 28 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) -3.86 -4.07 -174.01 13 11 2 224 404.512 16
Mid Mid (pH 6-8) -3.86 -4.41 -123.69 12 11 1 223 403.504 16

Activity (Go SEA)

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