UCSF

ZINC71545062

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 21 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) 1.13 6.41 -10.23 0 5 0 41 286.379 2
Mid Mid (pH 6-8) 1.13 8.76 -49.37 1 5 1 42 287.387 2
Mid Mid (pH 6-8) 1.13 6.87 -30.66 1 5 1 42 287.387 2
Lo Low (pH 4.5-6) 1.13 9.22 -84.11 2 5 2 43 288.395 2

Activity (Go SEA)

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

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