UCSF

ZINC54743862

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) -0.21 5.97 -39.54 2 5 1 52 220.3 5
Hi High (pH 8-9.5) -0.21 4.53 -11.51 1 5 0 48 219.292 5
Lo Low (pH 4.5-6) -0.21 6.44 -99.97 3 5 2 54 221.308 5

Activity (Go SEA)

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

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