UCSF

ZINC63003315

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 17 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) 0.76 0.49 -12.51 1 4 0 55 253.323 1
Mid Mid (pH 6-8) 0.76 1.68 -58.16 2 4 1 60 254.331 1

Activity (Go SEA)

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

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