UCSF

ZINC58342455

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 20 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) 2.17 3.5 -62.57 1 5 -1 77 309.392 4
Lo Low (pH 4.5-6) 2.17 3.03 -16.5 2 5 0 75 310.4 4

Activity (Go SEA)

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

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