UCSF

ZINC05908161

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 28 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) 3.41 9.36 -58.25 0 5 -1 70 396.85 5
Mid Mid (pH 6-8) 3.85 -1.22 -24.32 1 5 0 66 397.858 4
Mid Mid (pH 6-8) 2.82 -0.94 -16.74 0 5 0 63 397.858 5

Activity (Go SEA)

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