UCSF

ZINC48611076

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 18 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) 2.27 5.31 -45.68 2 4 1 43 275.731 6
Hi High (pH 8-9.5) 2.27 2.97 -12.73 1 4 0 42 274.723 6

Activity (Go SEA)

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