UCSF

ZINC34868552

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 25 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) 2.19 3.27 -6.19 2 4 0 47 340.467 6
Mid Mid (pH 6-8) 2.19 5.49 -37.05 3 4 1 48 341.475 6
Mid Mid (pH 6-8) 2.19 5.57 -39.11 3 4 1 48 341.475 6

Activity (Go SEA)

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