UCSF

ZINC49451045

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2010 19 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) -0.03 1.63 -44.2 0 7 -1 87 260.277 4
Lo Low (pH 4.5-6) -0.49 3.47 -11.43 1 7 0 84 261.285 4

Activity (Go SEA)

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