UCSF

ZINC67473071

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 20 Yes

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) 1.29 3.97 -48.75 5 5 1 81 268.344 4
Mid Mid (pH 6-8) 1.29 3.57 -9.14 4 5 0 80 267.336 4
Mid Mid (pH 6-8) 1.29 3.96 -28.44 5 5 1 81 268.344 4

Activity (Go SEA)

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

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