UCSF

ZINC04148609

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 30 No

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) 3.42 0.68 -49.81 1 6 1 73 397.41 2
Lo Low (pH 4.5-6) 3.42 0.79 -114.29 2 6 2 75 398.418 2

Activity (Go SEA)

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