UCSF

ZINC59653771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 16 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) 2.36 5.68 -34.39 2 2 1 25 224.299 3
Hi High (pH 8-9.5) 2.36 3.73 -3.91 1 2 0 23 223.291 3

Activity (Go SEA)

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