UCSF

ZINC07360891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2006 26 Yes

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) 3.50 7.51 -43.77 0 5 -1 69 391.9 4
Mid Mid (pH 6-8) 3.50 7.46 -13.68 1 5 0 66 392.908 4

Activity (Go SEA)

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