UCSF

ZINC35883784

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) -1.75 -2.1 -70.07 6 10 -1 184 441.416 1
Hi High (pH 8-9.5) -1.02 -1.81 -110.52 5 10 -2 187 440.408 2
Hi High (pH 8-9.5) -1.02 -0.81 -242.91 4 10 -3 190 439.4 2
Hi High (pH 8-9.5) -1.75 -1.09 -156.55 5 10 -2 187 440.408 1
Mid Mid (pH 6-8) -1.02 -2.85 -52.5 6 10 -1 184 441.416 2
Mid Mid (pH 6-8) -1.60 0.81 -74.42 6 10 0 182 442.424 2
Mid Mid (pH 6-8) -1.02 0.37 -128.56 6 10 -1 188 441.416 2
Mid Mid (pH 6-8) -1.02 -1.85 -141.87 5 10 -2 187 440.408 2
Mid Mid (pH 6-8) -1.75 -0.35 -78.19 7 10 0 186 442.424 1

Activity (Go SEA)

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