UCSF

ZINC33696465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 30 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) 7.03 14.37 -10.43 0 4 0 44 414.53 4
Ref Reference (pH 7) 7.03 12.66 -10.03 0 4 0 44 414.53 4
Lo Low (pH 4.5-6) 7.03 14.71 -26.51 1 4 1 45 415.538 4
Lo Low (pH 4.5-6) 7.03 13.14 -28.47 1 4 1 45 415.538 4

Activity (Go SEA)

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