UCSF

ZINC62967335

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 1.49 3.7 -30.61 2 3 1 28 227.372 4
Mid Mid (pH 6-8) 1.49 5.88 -96.39 3 3 2 29 228.38 4
Mid Mid (pH 6-8) 1.49 3.73 -27.88 2 3 1 28 227.372 4

Activity (Go SEA)

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