UCSF

ZINC69909534

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 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) 0.94 2.91 -45.76 3 3 1 44 258.436 3
Mid Mid (pH 6-8) 0.94 2.51 -5.99 2 3 0 42 257.428 3
Mid Mid (pH 6-8) 0.94 4.61 -98.35 4 3 2 45 259.444 3

Activity (Go SEA)

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

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