UCSF

ZINC50067744

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 12 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) 1.28 3.77 -4.87 0 3 0 30 236.109 6
Lo Low (pH 4.5-6) 1.28 6.1 -38.36 1 3 1 31 237.117 6

Activity (Go SEA)

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