UCSF

ZINC37800846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) 1.06 4.77 -45.99 2 4 1 40 294.444 3
Lo Low (pH 4.5-6) 1.06 6.99 -101.42 3 4 2 41 295.452 3

Activity (Go SEA)

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