UCSF

ZINC62812671

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 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) 0.65 2.37 -47.06 3 4 1 49 226.344 1
Hi High (pH 8-9.5) 0.65 1.02 -7.21 2 4 0 44 225.336 1

Activity (Go SEA)

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

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