UCSF

ZINC33780751

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 35 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) 4.79 13.47 -45.54 0 6 -1 73 469.561 9
Lo Low (pH 4.5-6) 4.79 12.34 -19.68 1 6 0 70 470.569 9

Activity (Go SEA)

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