UCSF

ZINC20546508

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.06 5.44 -59.24 3 4 1 59 276.747 5
Hi High (pH 8-9.5) 2.06 4.03 -13.63 2 4 0 54 275.739 5
Lo Low (pH 4.5-6) 2.06 4.55 -38.68 3 4 1 55 276.747 5

Activity (Go SEA)

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