UCSF

ZINC09380362

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 35 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) 4.44 11.57 -54.25 0 9 -1 125 481.525 12
Mid Mid (pH 6-8) 4.89 10.53 -28.46 1 9 0 122 482.533 11
Mid Mid (pH 6-8) 3.86 0.99 -22.62 0 9 0 118 482.533 12

Activity (Go SEA)

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