UCSF

ZINC38124981

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 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) 1.20 4.53 -93.46 4 3 2 41 226.364 4
Hi High (pH 8-9.5) 1.20 2.19 -28.59 3 3 1 40 225.356 4
Hi High (pH 8-9.5) 1.20 4.81 -30.1 3 3 1 37 225.356 4

Activity (Go SEA)

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

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