UCSF

ZINC54795780

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 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) -0.18 5.51 -48.13 3 5 1 63 246.338 3
Lo Low (pH 4.5-6) -0.18 5.98 -107.53 4 5 2 64 247.346 3

Activity (Go SEA)

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

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