UCSF

ZINC41723126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 18 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) 1.95 8.63 -38.15 3 2 1 33 249.422 5
Hi High (pH 8-9.5) 1.95 8.31 -3.77 2 2 0 31 248.414 5

Activity (Go SEA)

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