UCSF

ZINC62979586

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) 1.70 3.46 -42.58 2 4 1 32 290.431 5
Hi High (pH 8-9.5) 1.70 2.56 -3.12 1 4 0 28 289.423 5
Mid Mid (pH 6-8) 1.70 4.95 -38.32 2 4 1 29 290.431 5
Mid Mid (pH 6-8) 1.70 5.81 -119.47 3 4 2 34 291.439 5
Lo Low (pH 4.5-6) 1.70 5.66 -91.51 3 4 2 34 291.439 5

Activity (Go SEA)

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

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