UCSF

ZINC25452769

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 3.62 6.18 -48.76 0 5 -1 74 370.841 5
Lo Low (pH 4.5-6) 3.62 6.11 -15.48 1 5 0 72 371.849 5
Lo Low (pH 4.5-6) 3.62 6.42 -44.21 2 5 1 73 372.857 5

Activity (Go SEA)

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