UCSF

ZINC72267213

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2012 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) 0.75 2.43 -7.31 1 4 0 51 194.234 3
Mid Mid (pH 6-8) 0.75 3.78 -51.2 2 4 1 55 195.242 3

Activity (Go SEA)

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

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