UCSF

ZINC42018077

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 23 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) 1.71 5.61 -65.96 0 6 -1 74 329.405 3
Lo Low (pH 4.5-6) 1.25 7.25 -20.1 1 6 0 71 330.413 3

Activity (Go SEA)

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

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