UCSF

ZINC67541489

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 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) 2.46 2.42 -46.09 1 5 1 53 272.328 3
Hi High (pH 8-9.5) 2.46 -0.27 -10.52 0 5 0 51 271.32 3

Activity (Go SEA)

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

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