UCSF

ZINC04344000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 30 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) 1.10 3.08 -24.27 2 6 0 107 411.498 0
Mid Mid (pH 6-8) 0.52 3.51 -39.69 1 6 0 104 411.498 0

Activity (Go SEA)

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