UCSF

ZINC02614482

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.73 11.12 -48.87 0 4 -1 66 431.562 5
Mid Mid (pH 6-8) 6.27 12.85 -13.36 1 4 0 63 432.57 5
Mid Mid (pH 6-8) 6.27 12.36 -16.78 1 4 0 63 432.57 5

Activity (Go SEA)

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