UCSF

ZINC48809610

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2010 20 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) 2.80 3.8 -15.85 2 5 0 75 298.408 5
Hi High (pH 8-9.5) 2.80 3.86 -52.2 1 5 -1 77 297.4 5

Activity (Go SEA)

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