UCSF

ZINC39302288

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 22 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) -0.41 5.58 -14.21 1 6 0 72 303.362 3
Lo Low (pH 4.5-6) -0.41 6.05 -39.35 2 6 1 73 304.37 3

Activity (Go SEA)

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