UCSF

ZINC09379713

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) 4.46 11.08 -58.9 0 9 -1 125 481.525 12
Mid Mid (pH 6-8) 3.88 0.64 -30.11 0 9 0 118 482.533 12
Mid Mid (pH 6-8) 4.91 10.08 -32.37 1 9 0 122 482.533 11

Activity (Go SEA)

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