UCSF

ZINC20382251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 18 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) 1.60 1.84 -12.48 3 5 0 74 251.33 6
Mid Mid (pH 6-8) 1.60 2.28 -38.33 4 5 1 75 252.338 6

Activity (Go SEA)

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