UCSF

ZINC09007562

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 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) 3.52 0.87 -46.24 2 8 1 89 481.569 8
Mid Mid (pH 6-8) 2.49 0.66 -48.32 1 8 1 86 481.569 9

Activity (Go SEA)

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