UCSF

ZINC49399649

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 20 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) 2.31 7.82 -38.69 2 5 1 50 279.408 7
Hi High (pH 8-9.5) 2.31 5.39 -9.11 1 5 0 48 278.4 7
Mid Mid (pH 6-8) 2.31 8.19 -81.65 3 5 2 51 280.416 7

Activity (Go SEA)

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