UCSF

ZINC49339882

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 21 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) -1.25 2.01 -43.65 1 8 0 118 317.367 7
Hi High (pH 8-9.5) -1.25 0.35 -56.58 0 8 -1 116 316.359 7

Activity (Go SEA)

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

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