UCSF

ZINC43485385

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 25 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.75 9.89 -14.94 1 5 0 53 343.471 3
Lo Low (pH 4.5-6) 2.75 9.52 -49.65 2 5 1 54 344.479 3

Activity (Go SEA)

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