UCSF

ZINC08892373

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2007 34 No

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) 4.70 0.52 -10.33 0 6 0 74 461.558 9
Mid Mid (pH 6-8) 4.70 0.45 -13.51 0 6 0 74 461.558 9
Mid Mid (pH 6-8) 4.88 -0.46 -12.02 0 6 0 74 461.558 9

Activity (Go SEA)

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