UCSF

ZINC48380591

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 2.15 5.67 -10.97 1 4 0 53 270.332 3
Hi High (pH 8-9.5) 2.15 6.54 -55.74 0 4 -1 56 269.324 3
Lo Low (pH 4.5-6) 2.15 6.14 -38.63 2 4 1 55 271.34 3

Activity (Go SEA)

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