UCSF

ZINC38587384

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 16 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) 2.59 5.52 -36.27 3 2 1 29 219.352 4
Mid Mid (pH 6-8) 2.59 6.45 -103.83 4 2 2 33 220.36 4

Activity (Go SEA)

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