UCSF

ZINC09041155

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 37 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) 4.90 12.52 -54.59 0 8 -1 109 523.562 10
Mid Mid (pH 6-8) 5.34 12.2 -15.6 1 8 0 106 524.57 9
Mid Mid (pH 6-8) 4.31 12.85 -14.91 0 8 0 103 524.57 10

Activity (Go SEA)

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