UCSF

ZINC42865557

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) -0.17 0.87 -12.77 2 3 0 42 201.32 4
Lo Low (pH 4.5-6) -0.17 2.5 -42.86 3 3 1 43 202.328 4

Activity (Go SEA)

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