UCSF

ZINC09380418

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 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) 4.32 9.45 -36.08 0 5 -1 70 439.702 6
Mid Mid (pH 6-8) 3.74 -0.77 -23.36 0 5 0 63 440.71 6
Mid Mid (pH 6-8) 4.77 8.02 -31.49 1 5 0 67 440.71 5

Activity (Go SEA)

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