UCSF

ZINC09059136

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 26 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) 2.11 2.04 -43.32 1 7 -1 104 371.756 3
Hi High (pH 8-9.5) 2.11 2.96 -97.47 0 7 -2 107 370.748 3
Hi High (pH 8-9.5) 2.11 3.07 -97.72 0 7 -2 107 370.748 3
Lo Low (pH 4.5-6) 1.65 4.7 -10.92 2 7 0 101 372.764 3

Activity (Go SEA)

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