UCSF

ZINC41302093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 2.53 4.97 -37.98 2 3 1 29 249.378 4
Hi High (pH 8-9.5) 2.53 3.61 -3.51 1 3 0 24 248.37 4

Activity (Go SEA)

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