UCSF

ZINC49543837

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 27 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) 5.62 9.47 -9.35 1 6 0 72 398.513 5
Ref Reference (pH 7) 4.69 10.29 -12.77 1 6 0 69 398.513 6
Mid Mid (pH 6-8) 4.76 8.57 -44.92 0 6 -1 75 397.505 6

Activity (Go SEA)

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

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