UCSF

ZINC19488861

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 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) 1.05 4.26 -33.69 4 4 1 68 233.339 2
Hi High (pH 8-9.5) 1.05 5.16 -5.65 3 4 0 66 232.331 2
Lo Low (pH 4.5-6) 1.05 5.56 -88.58 5 4 2 69 234.347 2

Activity (Go SEA)

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