UCSF

ZINC11838502

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 25 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) 2.71 -0.8 -37.7 2 4 1 47 341.475 5
Lo Low (pH 4.5-6) 2.71 -0.8 -109.08 3 4 2 48 342.483 5

Activity (Go SEA)

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