UCSF

ZINC68959101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 14 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) 2.10 4.05 -42.07 3 2 1 41 185.25 1
Hi High (pH 8-9.5) 2.10 3.8 -5.18 2 2 0 39 184.242 1

Activity (Go SEA)

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

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