UCSF

ZINC16857700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2008 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) 0.93 5.57 -60.26 1 5 -1 86 243.242 4
Hi High (pH 8-9.5) 1.39 4.44 -115.48 0 5 -2 89 242.234 4

Activity (Go SEA)

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

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