UCSF

ZINC24604450

Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2009 27 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) 3.58 11.13 -22.75 1 4 0 47 355.441 6
Lo Low (pH 4.5-6) 3.58 11.5 -48.45 2 4 1 48 356.449 6

Activity (Go SEA)

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