UCSF

ZINC55502021

Substance Information

In ZINC since Heavy atoms Benign functionality
December 15th, 2010 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.41 7.77 -32.75 2 4 1 50 298.41 2
Hi High (pH 8-9.5) 3.41 5.87 -14.92 1 4 0 48 297.402 2
Lo Low (pH 4.5-6) 3.41 8.73 -88.85 3 4 2 51 299.418 2

Activity (Go SEA)

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