UCSF

ZINC09712865

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 29 Yes

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) 4.65 -0.65 -14.59 1 6 0 68 424.913 6
Mid Mid (pH 6-8) 4.65 -0.41 -35.28 2 6 1 69 425.921 6

Activity (Go SEA)

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