UCSF

ZINC37797869

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) 0.45 3.7 -42.77 2 5 1 49 278.376 5
Hi High (pH 8-9.5) 0.45 2.34 -9.79 1 5 0 45 277.368 5

Activity (Go SEA)

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