UCSF

ZINC35520174

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 4.63 12.46 -60.77 0 5 -1 70 426.492 7
Lo Low (pH 4.5-6) 4.63 11.71 -12.35 1 5 0 67 427.5 7

Activity (Go SEA)

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