UCSF

ZINC24887119

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 19 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) 1.14 5.17 -36.47 2 4 1 39 264.393 7
Lo Low (pH 4.5-6) 1.14 4.54 -80.02 3 4 2 43 265.401 7
Lo Low (pH 4.5-6) 1.14 6.47 -105.75 3 4 2 43 265.401 7
Lo Low (pH 4.5-6) 1.14 4.16 -38.8 2 4 1 42 264.393 7

Activity (Go SEA)

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