UCSF

ZINC49547192

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -4.55 -3.84 -30.88 3 8 1 88 339.416 5
Hi High (pH 8-9.5) -4.09 -5.61 -14.73 2 8 0 95 338.408 4
Mid Mid (pH 6-8) -4.55 -1.57 -88.66 4 8 2 89 340.424 5
Mid Mid (pH 6-8) -4.09 -5.54 -104.17 4 8 2 93 340.424 4
Mid Mid (pH 6-8) -4.09 -3.25 -58.98 3 8 1 96 339.416 4
Mid Mid (pH 6-8) -4.09 -4.02 -98.29 4 8 2 93 340.424 4
Lo Low (pH 4.5-6) -4.09 -1.75 -162.38 5 8 3 94 341.432 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.