UCSF

ZINC37004662

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 3.31 6.63 -38.21 3 3 1 46 326.258 3
Hi High (pH 8-9.5) 3.31 5.3 -6.34 2 3 0 41 325.25 3

Activity (Go SEA)

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