UCSF

ZINC60272787

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 33 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) -2.92 -0.76 -53.68 7 11 0 203 460.439 1
Ref Reference (pH 7) -2.19 -1.49 -64.28 6 11 -1 202 459.431 2
Hi High (pH 8-9.5) -2.34 -3.1 -72.72 7 11 -1 205 459.431 1
Mid Mid (pH 6-8) -2.92 -1.51 -64.57 6 11 -1 202 459.431 1
Mid Mid (pH 6-8) -2.19 -0.6 -68.71 7 11 0 203 460.439 2
Lo Low (pH 4.5-6) -2.19 0.07 -58.41 7 11 0 203 460.439 2

Activity (Go SEA)

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

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