UCSF

ZINC31966048

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.71 0.12 -62.14 3 8 -1 124 296.303 10
Lo Low (pH 4.5-6) -0.71 -1 -22.34 4 8 0 121 297.311 10

Activity (Go SEA)

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