UCSF

ZINC09459415

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 38 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) 5.26 13.31 -60.55 0 7 -1 88 512.582 10
Mid Mid (pH 6-8) 5.71 12.27 -26.76 1 7 0 85 513.59 9
Mid Mid (pH 6-8) 4.68 13.27 -19.41 0 7 0 82 513.59 10

Activity (Go SEA)

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