UCSF

ZINC62980554

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) -0.02 2.78 -86.5 5 6 2 85 264.377 5
Hi High (pH 8-9.5) -0.02 2.82 -6 3 6 0 82 262.361 5
Mid Mid (pH 6-8) -0.02 4.85 -33.32 4 6 1 83 263.369 5

Activity (Go SEA)

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

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