UCSF

ZINC34946749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 0.76 10.09 -12.35 2 9 0 107 409.446 7
Hi High (pH 8-9.5) 0.82 8.55 -58.41 1 9 -1 114 408.438 7

Activity (Go SEA)

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