UCSF

ZINC37638093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 11 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) -0.64 -1.5 -8.13 1 4 0 50 159.185 3
Lo Low (pH 4.5-6) -0.64 0.77 -42.75 2 4 1 51 160.193 3
Lo Low (pH 4.5-6) -0.64 0.75 -42.92 2 4 1 51 160.193 3

Activity (Go SEA)

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