UCSF

ZINC31928071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 30 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) 1.56 2.84 -13.31 2 9 0 98 423.51 10
Mid Mid (pH 6-8) 1.56 4.65 -48.25 3 9 1 100 424.518 10

Activity (Go SEA)

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