UCSF

ZINC16533466

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 31 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) 4.54 10.83 -10.76 1 7 0 71 423.561 3
Mid Mid (pH 6-8) 4.54 11.15 -34.44 2 7 1 72 424.569 3

Activity (Go SEA)

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