UCSF

ZINC69953137

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 17 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) -1.13 -0.64 -15.72 4 8 0 135 235.203 2
Mid Mid (pH 6-8) -0.67 -2.74 -40.26 3 8 -1 138 234.195 2

Activity (Go SEA)

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

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