UCSF

ZINC43905475

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 24 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) 3.40 8.42 -11.98 2 4 0 54 317.392 3
Lo Low (pH 4.5-6) 3.40 8.88 -44.84 3 4 1 55 318.4 3

Activity (Go SEA)

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