UCSF

ZINC40567893

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 37 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) 6.54 14.41 -38.08 2 5 1 52 515.596 11
Hi High (pH 8-9.5) 6.54 12.47 -13.62 1 5 0 51 514.588 11

Activity (Go SEA)

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