UCSF

ZINC26257578

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 41 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) -0.78 6.01 -63.63 5 13 -1 193 567.623 5
Lo Low (pH 4.5-6) -0.78 4.89 -21.54 6 13 0 190 568.631 5

Activity (Go SEA)

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