UCSF

ZINC54794247

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 20 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) 1.46 3.98 -33.56 3 5 1 54 281.424 7
Hi High (pH 8-9.5) 1.46 3.41 -7.62 2 5 0 53 280.416 7
Mid Mid (pH 6-8) 1.46 4.63 -41.17 3 5 1 58 281.424 7
Lo Low (pH 4.5-6) 1.46 6.55 -131.88 4 5 2 59 282.432 7

Activity (Go SEA)

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

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