UCSF

ZINC43307656

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 27 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) 4.86 10.43 -40.41 4 5 1 77 382.613 14
Hi High (pH 8-9.5) 4.86 10.02 -10.32 3 5 0 75 381.605 14

Activity (Go SEA)

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