UCSF

ZINC05822032

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 18 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) 3.41 6.78 -51.33 1 4 -1 69 256.366 11
Lo Low (pH 4.5-6) 3.41 5.66 -13.89 2 4 0 66 257.374 11

Activity (Go SEA)

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