UCSF

ZINC04553027

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2005 28 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) 2.61 5.71 -13.82 3 6 0 95 371.396 4
Ref Reference (pH 7) 3.52 3.33 -19.01 3 6 0 98 371.396 4
Hi High (pH 8-9.5) 3.07 3.71 -58.48 2 6 -1 98 370.388 4
Hi High (pH 8-9.5) 3.07 3.98 -49.53 2 6 -1 98 370.388 4
Hi High (pH 8-9.5) 3.52 4.15 -55.55 2 6 -1 101 370.388 4

Activity (Go SEA)

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