UCSF

ZINC52518596

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.48 -3.64 -15.03 4 8 0 116 268.273 3
Hi High (pH 8-9.5) -0.30 -6.29 -48.31 3 8 -1 123 267.265 3

Activity (Go SEA)

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

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