UCSF

ZINC04170833

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 29 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) 3.32 0.07 -9.84 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.50 0.2 -11.59 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.50 1.55 -16.09 0 8 0 110 420.849 7
Mid Mid (pH 6-8) 3.32 0.08 -13.71 0 8 0 110 420.849 7

Activity (Go SEA)

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