UCSF

ZINC42461159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 1.35 5.61 -101.41 4 4 2 48 250.39 3
Hi High (pH 8-9.5) 1.35 3.55 -46.49 3 4 1 47 249.382 3
Lo Low (pH 4.5-6) 1.35 6.09 -185.31 5 4 3 49 251.398 3

Activity (Go SEA)

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