UCSF

ZINC19398329

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 2.21 5.97 -31.78 2 2 1 16 288.184 2
Lo Low (pH 4.5-6) 2.21 5.42 -38.56 2 2 1 20 288.184 2

Activity (Go SEA)

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