UCSF

ZINC42036607

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 13 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) 0.08 2.49 -27.49 4 4 1 65 197.287 3
Hi High (pH 8-9.5) -0.75 1.76 -7.37 3 4 0 63 196.279 3
Hi High (pH 8-9.5) -0.75 2.64 -26.64 4 4 1 65 197.287 3

Activity (Go SEA)

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

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