UCSF

ZINC13118267

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 25 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) 3.34 7.81 -16.63 1 6 0 76 401.264 5
Hi High (pH 8-9.5) 4.25 6.54 -49 0 6 -1 83 400.256 5
Hi High (pH 8-9.5) 4.25 5.6 -46.73 0 6 -1 83 400.256 5
Mid Mid (pH 6-8) 4.25 4.79 -10.82 1 6 0 80 401.264 5

Activity (Go SEA)

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