UCSF

ZINC31898646

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 2.72 7.87 -46.69 3 2 1 37 321.238 4
Hi High (pH 8-9.5) 2.72 7.54 -4.14 2 2 0 35 320.23 4

Activity (Go SEA)

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