UCSF

ZINC05226787

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 21 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) 2.11 6.87 -14.52 1 6 0 88 285.303 4
Lo Low (pH 4.5-6) 2.11 7.15 -51.92 2 6 1 89 286.311 4

Activity (Go SEA)

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