UCSF

ZINC49543865

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 16 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) 0.36 1.67 -13.8 2 5 0 71 237.284 2
Mid Mid (pH 6-8) 0.55 -0.88 -46.14 1 5 -1 77 236.276 2
Lo Low (pH 4.5-6) 0.36 2 -34.05 3 5 1 72 238.292 2

Activity (Go SEA)

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

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