UCSF

ZINC44420156

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 19 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) 2.69 5.77 -53.81 2 5 -1 81 269.365 7
Lo Low (pH 4.5-6) 2.69 3.78 -12.15 3 5 0 78 270.373 7

Activity (Go SEA)

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