UCSF

ZINC55575419

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2010 26 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) 1.94 6.63 -17.33 0 6 0 55 353.422 6
Lo Low (pH 4.5-6) 1.94 7.09 -49.39 1 6 1 56 354.43 6

Activity (Go SEA)

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