UCSF

ZINC06194123

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.61 -0.1 -8.3 0 6 0 74 462.34 4
Mid Mid (pH 6-8) 4.61 -0.46 -11.55 0 6 0 74 462.34 4
Mid Mid (pH 6-8) 4.79 -1.52 -9.21 0 6 0 74 462.34 4

Activity (Go SEA)

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