UCSF

ZINC12117860

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 24 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) 0.66 -4.34 -48.67 2 7 1 76 328.396 3
Lo Low (pH 4.5-6) 0.66 -4.23 -103.96 3 7 2 77 329.404 3

Activity (Go SEA)

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