UCSF

ZINC51825143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 26 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) -1.54 -1.64 -20.9 2 9 0 94 369.466 8
Lo Low (pH 4.5-6) -1.54 0.55 -50.25 3 9 1 95 370.474 8
Lo Low (pH 4.5-6) -1.54 0.55 -50.74 3 9 1 95 370.474 8

Activity (Go SEA)

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