UCSF

ZINC34046036

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 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) -2.47 2.43 -72.8 5 8 -1 153 318.309 7
Hi High (pH 8-9.5) -2.47 2.08 -107.61 4 8 -2 151 317.301 7

Activity (Go SEA)

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

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