UCSF

ZINC65953718

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2011 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) -0.11 5.33 -44.59 5 8 1 108 350.369 8
Mid Mid (pH 6-8) -0.11 5.32 -38.62 5 8 1 108 350.369 8
Mid Mid (pH 6-8) -0.11 3.07 -10.16 4 8 0 106 349.361 8
Lo Low (pH 4.5-6) -0.11 5.67 -91.74 6 8 2 109 351.377 8

Activity (Go SEA)

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

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