UCSF

ZINC28354969

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 39 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) 2.77 10.46 -59.16 3 11 1 134 572.737 9
Hi High (pH 8-9.5) 2.77 9.05 -19.42 2 11 0 130 571.729 9
Hi High (pH 8-9.5) 2.77 11.94 -38.32 3 11 1 131 572.737 9
Lo Low (pH 4.5-6) 2.77 10.85 -118.65 4 11 2 135 573.745 9

Activity (Go SEA)

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