UCSF

ZINC54798103

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 16 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) 0.61 5.13 -77.45 4 4 2 46 224.352 5
Mid Mid (pH 6-8) 0.61 4.72 -30.38 3 4 1 45 223.344 5
Lo Low (pH 4.5-6) 0.61 6.43 -198.06 5 4 3 51 225.36 5

Activity (Go SEA)

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

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