UCSF

ZINC05905733

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

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) 3.36 9.65 -56.79 0 5 -1 70 394.422 5
Mid Mid (pH 6-8) 3.81 -0.13 -25.28 1 5 0 66 395.43 4
Mid Mid (pH 6-8) 2.78 0.09 -14.77 0 5 0 63 395.43 5

Activity (Go SEA)

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