UCSF

ZINC69505970

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 19 No

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) -0.48 0.67 -58.94 3 6 1 94 288.393 4
Hi High (pH 8-9.5) -0.48 0.28 -15.65 2 6 0 93 287.385 4
Hi High (pH 8-9.5) -0.48 0.27 -14.41 2 6 0 93 287.385 4

Activity (Go SEA)

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

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