UCSF

ZINC41302002

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) 3.12 7.62 -35.89 2 3 1 26 249.378 6
Hi High (pH 8-9.5) 3.12 5.4 -3.17 1 3 0 24 248.37 6

Activity (Go SEA)

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