UCSF

ZINC69799492

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 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) 0.24 2.59 -37.69 3 4 1 49 223.344 2
Hi High (pH 8-9.5) 0.24 1.92 -4.11 2 4 0 47 222.336 2
Lo Low (pH 4.5-6) 0.24 4.37 -107.67 4 4 2 50 224.352 2
Lo Low (pH 4.5-6) 0.24 4.02 -28.96 3 4 1 48 223.344 2

Activity (Go SEA)

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

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