UCSF

ZINC42444900

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 No

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) 1.45 6.86 -107.37 3 2 2 21 216.394 3
Hi High (pH 8-9.5) 1.45 5.35 -37.67 2 2 1 20 215.386 3
Hi High (pH 8-9.5) 1.45 5.59 -34.5 2 2 1 16 215.386 3

Activity (Go SEA)

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