UCSF

ZINC53148278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 4.42 10.04 -44.64 2 1 1 17 260.788 5
Hi High (pH 8-9.5) 4.42 8.67 -3.56 1 1 0 12 259.78 5

Activity (Go SEA)

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