UCSF

ZINC01203941

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 33 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) 5.91 -1.46 -8.27 1 5 0 75 443.543 5
Mid Mid (pH 6-8) 5.91 -1.36 -11.72 1 5 0 75 443.543 5
Mid Mid (pH 6-8) 6.09 -0.04 -15.85 1 5 0 75 443.543 5
Mid Mid (pH 6-8) 6.09 -1.39 -9.81 1 5 0 75 443.543 5

Activity (Go SEA)

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