UCSF

ZINC00861444

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 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) 5.97 10.71 -10.3 1 6 0 85 473.569 6
Mid Mid (pH 6-8) 6.15 10.51 -11.77 1 6 0 85 473.569 6
Mid Mid (pH 6-8) 6.15 11.33 -16.39 1 6 0 85 473.569 6

Activity (Go SEA)

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