UCSF

ZINC37066595

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.02 5.75 -39.43 3 5 1 56 265.381 4
Hi High (pH 8-9.5) 2.02 3.75 -5.29 2 5 0 55 264.373 4

Activity (Go SEA)

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