UCSF

ZINC35993566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 34 Yes

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) 5.39 12.95 -93.09 4 6 2 70 470.654 13
Hi High (pH 8-9.5) 5.39 11.99 -44.23 3 6 1 66 469.646 13

Activity (Go SEA)

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