UCSF

ZINC25075382

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 33 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) 3.13 11.15 -22.63 1 7 0 76 442.519 7
Lo Low (pH 4.5-6) 3.13 11.54 -44.25 2 7 1 77 443.527 7

Activity (Go SEA)

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