UCSF

ZINC42780415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.59 3.36 -8.09 1 5 0 73 225.292 4
Hi High (pH 8-9.5) 0.77 3.34 -42.91 0 5 -1 80 224.284 4

Activity (Go SEA)

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