UCSF

ZINC10322448

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2007 30 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) 4.27 -0.18 -20.89 1 6 0 64 419.868 4
Mid Mid (pH 6-8) 4.27 0.06 -38.89 2 6 1 66 420.876 4

Activity (Go SEA)

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