UCSF

ZINC44683851

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.05 4.54 -38.54 2 4 1 38 277.388 6
Lo Low (pH 4.5-6) 2.05 5.75 -32.86 2 4 1 35 277.388 6
Lo Low (pH 4.5-6) 2.05 6.95 -108.28 3 4 2 40 278.396 6

Activity (Go SEA)

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