UCSF

ZINC67491206

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 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) -2.06 0.12 -25.47 2 9 0 119 341.393 3
Lo Low (pH 4.5-6) -2.06 0.58 -58.11 3 9 1 120 342.401 3

Activity (Go SEA)

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

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