UCSF

ZINC62963234

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 1.52 0.2 -10.63 2 4 0 73 274.411 2
Lo Low (pH 4.5-6) 1.52 0.45 -57.21 3 4 1 75 275.419 2
Lo Low (pH 4.5-6) 1.52 0.78 -38.15 3 4 1 74 275.419 2

Activity (Go SEA)

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

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