UCSF

ZINC03678275

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 4.87 -38.1 3 4 0 77 223.272 5
Hi High (pH 8-9.5) -0.16 4.54 -46.83 2 4 -1 75 222.264 5

Activity (Go SEA)

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