UCSF

ZINC51481547

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 18 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) 1.14 5.12 -40.77 2 5 1 55 251.354 5
Hi High (pH 8-9.5) 1.14 3.67 -8.9 1 5 0 50 250.346 5
Lo Low (pH 4.5-6) 1.14 5.36 -90.87 3 5 2 56 252.362 5

Activity (Go SEA)

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

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