UCSF

ZINC38682833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 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) -1.55 5.51 -94.1 0 8 -2 121 284.268 6
Lo Low (pH 4.5-6) -1.55 3.54 -50.28 1 8 -1 118 285.276 6

Activity (Go SEA)

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