UCSF

ZINC35515263

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 4.37 11.41 -12.58 0 8 0 91 492.915 5
Lo Low (pH 4.5-6) 4.37 11.78 -38.13 1 8 1 92 493.923 5

Activity (Go SEA)

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