UCSF

ZINC38601544

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 19 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) -0.33 -8.05 -19.79 4 8 0 125 327.771 3
Hi High (pH 8-9.5) -0.33 -8.5 -42.4 3 8 -1 127 326.763 3

Activity (Go SEA)

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

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