UCSF

ZINC60239335

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 32 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
Lo Low (pH 4.5-6) -1.46 2.89 -62.34 6 10 0 182 444.44 2
Lo Low (pH 4.5-6) -0.43 2.12 -55.37 7 10 0 186 444.44 2

Activity (Go SEA)

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