UCSF

ZINC43704938

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 13 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) -0.46 2.2 -51.82 0 5 -1 76 183.187 2
Lo Low (pH 4.5-6) -0.46 4.46 -60.28 1 5 0 78 184.195 2

Activity (Go SEA)

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