UCSF

ZINC39250618

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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 5.72 -11.83 1 4 0 56 258.273 5
Hi High (pH 8-9.5) 3.31 6.49 -51.53 0 4 -1 59 257.265 5

Activity (Go SEA)

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