UCSF

ZINC62978738

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 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) 0.93 2.71 -48.05 3 4 1 43 290.431 5
Mid Mid (pH 6-8) 0.93 3.81 -33.63 3 4 1 43 290.431 5
Mid Mid (pH 6-8) 0.93 2.64 -3.79 2 4 0 42 289.423 5
Mid Mid (pH 6-8) 0.93 4.16 -130.27 4 4 2 45 291.439 5
Lo Low (pH 4.5-6) 0.93 4.94 -117.39 4 4 2 45 291.439 5

Activity (Go SEA)

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

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