UCSF

ZINC62963231

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 0.01 -0.66 -13.74 2 4 0 73 246.357 1
Lo Low (pH 4.5-6) 0.01 -0.47 -59.08 3 4 1 75 247.365 1
Lo Low (pH 4.5-6) 0.01 -0.26 -38.23 3 4 1 74 247.365 1

Activity (Go SEA)

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

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