UCSF

ZINC06530983

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 21 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) 3.44 4.9 -43.07 1 4 -1 73 278.287 2
Hi High (pH 8-9.5) 2.92 6.8 -50.26 1 4 -1 69 278.287 2
Lo Low (pH 4.5-6) 2.89 5.89 -10.09 2 4 0 68 280.303 2
Lo Low (pH 4.5-6) 2.92 6.03 -10.52 2 4 0 66 279.295 2

Activity (Go SEA)

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