UCSF

ZINC65164081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 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) 1.51 7.61 -46.77 2 4 1 50 260.292 2
Mid Mid (pH 6-8) 1.51 7.14 -12.27 1 4 0 49 259.284 2
Mid Mid (pH 6-8) 1.51 7.15 -16.39 1 4 0 49 259.284 2

Activity (Go SEA)

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

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