UCSF

ZINC05093791

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2006 29 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) 2.67 3.42 -20.59 3 9 0 121 391.387 5
Hi High (pH 8-9.5) 3.58 1.83 -61.96 2 9 -1 128 390.379 5
Hi High (pH 8-9.5) 3.13 1.52 -58.33 2 9 -1 125 390.379 5
Hi High (pH 8-9.5) 3.13 1.39 -59.96 2 9 -1 125 390.379 5
Hi High (pH 8-9.5) 3.58 1.91 -52.9 2 9 -1 128 390.379 5
Mid Mid (pH 6-8) 3.58 1.02 -22.41 3 9 0 125 391.387 5
Mid Mid (pH 6-8) 2.67 3.27 -19.28 3 9 0 121 391.387 5

Activity (Go SEA)

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