UCSF

ZINC50916382

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 14 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) 0.85 5.9 -52.57 1 4 -1 69 198.242 3
Lo Low (pH 4.5-6) 0.85 3.92 -14.12 2 4 0 66 199.25 3

Activity (Go SEA)

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