UCSF

ZINC30214291

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 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) 2.77 7.19 -41.2 2 4 1 47 330.246 5
Hi High (pH 8-9.5) 2.77 4.93 -12.05 1 4 0 45 329.238 5

Activity (Go SEA)

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