UCSF

ZINC04561537

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 24 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) 4.77 10.5 -11.61 1 4 0 45 343.496 6
Lo Low (pH 4.5-6) 4.77 10.8 -32.51 2 4 1 46 344.504 6

Activity (Go SEA)

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