UCSF

ZINC52878835

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 21 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) 0.38 3.69 -55.22 2 7 -1 115 286.267 4
Hi High (pH 8-9.5) 0.84 1.61 -104.89 1 7 -2 118 285.259 4

Activity (Go SEA)

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

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