UCSF

ZINC26107439

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 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) 0.69 3 -8.03 0 4 0 33 226.32 2
Lo Low (pH 4.5-6) 0.69 5.21 -38.05 1 4 1 34 227.328 2

Activity (Go SEA)

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