UCSF

ZINC04157469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 21 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) 1.80 0.8 -13.85 1 4 0 61 309.341 6
Mid Mid (pH 6-8) 1.80 1.05 -46.25 2 4 1 63 310.349 6

Activity (Go SEA)

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