UCSF

ZINC04148605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 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) 2.61 -1.37 -121.52 2 5 2 40 349.862 4
Lo Low (pH 4.5-6) 2.61 -1.18 -185.71 3 5 3 41 350.87 4

Activity (Go SEA)

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