UCSF

ZINC34824959

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 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) 2.75 8.16 -45.37 2 3 1 33 244.362 5
Hi High (pH 8-9.5) 2.75 6.67 -6.17 1 3 0 28 243.354 5
Mid Mid (pH 6-8) 2.75 8.62 -92.76 3 3 2 34 245.37 5

Activity (Go SEA)

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