UCSF

ZINC16695845

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 28 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) 5.55 9.58 -32.51 1 5 1 58 393.85 4
Mid Mid (pH 6-8) 5.55 10.06 -97.96 2 5 2 60 394.858 4
Lo Low (pH 4.5-6) 5.55 10.14 -34.15 1 5 1 58 393.85 4

Activity (Go SEA)

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