UCSF

ZINC43454454

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 4.63 10.39 -53.07 2 5 1 72 295.403 10
Hi High (pH 8-9.5) 4.63 8.95 -9.32 1 5 0 67 294.395 10

Activity (Go SEA)

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