UCSF

ZINC62319554

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 17 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) -0.31 4.24 -38.19 2 5 1 58 232.311 4
Hi High (pH 8-9.5) -0.31 3.77 -10.69 1 5 0 57 231.303 4
Lo Low (pH 4.5-6) -0.31 5.21 -100.95 3 5 2 63 233.319 4

Activity (Go SEA)

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

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