UCSF

ZINC43897769

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 16 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) 0.87 1.61 -40.11 2 4 1 38 229.344 2
Lo Low (pH 4.5-6) 0.87 3.23 -115.28 3 4 2 40 230.352 2

Activity (Go SEA)

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