UCSF

ZINC38122846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 17 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) 1.73 3.98 -95.51 4 3 2 41 240.391 3
Hi High (pH 8-9.5) 1.73 1.64 -31.49 3 3 1 40 239.383 3
Hi High (pH 8-9.5) 1.73 2.89 -34.56 3 3 1 37 239.383 3

Activity (Go SEA)

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

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