UCSF

ZINC67725896

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 Yes

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) 1.97 10.66 -29.05 3 7 1 85 342.471 6
Mid Mid (pH 6-8) 1.97 10.27 -8.01 2 7 0 84 341.463 6
Mid Mid (pH 6-8) 1.97 10.71 -30.87 3 7 1 85 342.471 6

Activity (Go SEA)

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

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