UCSF

ZINC48629841

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 17 No

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) 2.20 3.65 -13.33 1 4 0 55 253.685 2
Mid Mid (pH 6-8) 2.66 1.02 -50.55 0 4 -1 58 252.677 2

Activity (Go SEA)

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

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