UCSF

ZINC67967585

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 23 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) 1.60 6.77 -101.01 5 5 2 73 311.433 2
Mid Mid (pH 6-8) 1.60 5.4 -49.33 4 5 1 69 310.425 2
Mid Mid (pH 6-8) 1.60 5.69 -83.1 5 5 2 70 311.433 2

Activity (Go SEA)

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

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