UCSF

ZINC06620936

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 30 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) 2.77 5.36 -65.78 1 7 -1 99 410.446 9
Mid Mid (pH 6-8) 2.77 -1.57 -12.22 2 7 0 96 411.454 9
Mid Mid (pH 6-8) 2.19 -1.66 -19.32 1 7 0 93 411.454 9

Activity (Go SEA)

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