UCSF

ZINC17862888

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2008 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) 1.86 5.83 -34.27 2 3 1 43 251.309 1
Mid Mid (pH 6-8) 1.86 5.01 -9.75 1 3 0 41 250.301 1
Mid Mid (pH 6-8) 1.86 5.85 -9.48 1 3 0 41 250.301 1

Activity (Go SEA)

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

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