UCSF

ZINC16735030

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 4.65 10.83 -14.86 1 6 0 80 474.532 10
Mid Mid (pH 6-8) 4.07 11.52 -22.17 0 6 0 77 474.532 10
Lo Low (pH 4.5-6) 5.10 10.78 -54.81 2 6 1 81 475.54 9
Lo Low (pH 4.5-6) 4.07 11.8 -52.77 1 6 1 78 475.54 10

Activity (Go SEA)

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