UCSF

ZINC49306865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 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) 2.40 7.25 -16.11 1 4 0 47 257.337 3
Lo Low (pH 4.5-6) 2.40 7.37 -30.83 2 4 1 48 258.345 3

Activity (Go SEA)

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