UCSF

ZINC57281496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 26 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) 3.63 9.57 -42.21 2 4 1 35 373.904 5
Lo Low (pH 4.5-6) 3.63 8.53 -47.76 2 4 1 38 373.904 5

Activity (Go SEA)

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