UCSF

ZINC72194385

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2012 6 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) -1.14 -2.1 -38.25 4 3 1 49 91.134 3
Hi High (pH 8-9.5) -1.14 -2.52 -3.97 3 3 0 47 90.126 3

Activity (Go SEA)

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

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