UCSF

ZINC37016059

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.33 6.7 -45.09 4 3 1 57 399.106 4
Hi High (pH 8-9.5) 3.33 6.38 -5.5 3 3 0 55 398.098 4

Activity (Go SEA)

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