UCSF

ZINC34954424

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 6.30 14.39 -56.46 0 6 -1 83 513.57 7
Lo Low (pH 4.5-6) 6.30 13.5 -12.46 1 6 0 80 514.578 7

Activity (Go SEA)

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