UCSF

ZINC19976639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 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) -1.49 -0.05 -51.45 2 6 1 71 276.382 3
Hi High (pH 8-9.5) -1.49 -0.87 -54.74 2 6 1 74 276.382 3
Hi High (pH 8-9.5) -1.49 -2.29 -18.13 1 6 0 70 275.374 3
Lo Low (pH 4.5-6) -1.49 1.36 -130.93 3 6 2 75 277.39 3

Activity (Go SEA)

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