UCSF

ZINC26261990

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 18 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) 1.11 8.03 -53.89 2 5 1 65 249.29 3
Hi High (pH 8-9.5) 0.86 5.93 -58.5 0 5 -1 67 247.274 2
Mid Mid (pH 6-8) -3.60 6.82 -38.95 1 5 1 58 249.29 3

Activity (Go SEA)

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

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