UCSF

ZINC27642457

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 19 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) 2.40 6.64 -11.28 1 4 0 67 291.353 3
Hi High (pH 8-9.5) 2.86 4.61 -40.35 0 4 -1 70 290.345 3
Hi High (pH 8-9.5) 2.86 4.61 -40.35 0 4 -1 70 290.345 3

Activity (Go SEA)

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

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