UCSF

ZINC43708498

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 20 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) 1.34 4.55 -49.69 3 6 1 81 299.734 4
Hi High (pH 8-9.5) 1.34 3.2 -10.23 2 6 0 77 298.726 4

Activity (Go SEA)

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