UCSF

ZINC03678274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 16 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) -0.16 4.85 -37.96 3 4 0 77 223.272 5
Hi High (pH 8-9.5) -0.16 4.55 -50.97 2 4 -1 75 222.264 5

Activity (Go SEA)

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