UCSF

ZINC35743901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 23 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) 2.86 6.45 -52.66 3 5 1 72 330.433 5
Hi High (pH 8-9.5) 3.32 4.12 -44.42 2 5 0 75 329.425 5

Activity (Go SEA)

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