UCSF

ZINC49348513

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 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) 4.41 7.44 -13.29 2 3 0 49 289.762 4
Hi High (pH 8-9.5) 4.41 8.45 -58.08 1 3 -1 52 288.754 4

Activity (Go SEA)

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