UCSF

ZINC44136763

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 11 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) -0.30 -1.34 -5.67 2 4 0 59 159.185 2
Mid Mid (pH 6-8) -0.30 -0.02 -38.39 3 4 1 63 160.193 2

Activity (Go SEA)

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