UCSF

ZINC09234729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 27 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) 3.91 6.74 -36.82 1 8 -1 124 364.337 6
Mid Mid (pH 6-8) 3.91 6.54 -50.89 1 8 -1 124 364.337 6
Mid Mid (pH 6-8) 3.45 8.41 -16.91 2 8 0 121 365.345 6

Activity (Go SEA)

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