UCSF

ZINC31965891

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.99 5.2 -47.55 1 7 -1 108 299.328 7
Lo Low (pH 4.5-6) 0.99 4.08 -14.73 2 7 0 106 300.336 7

Activity (Go SEA)

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