UCSF

ZINC26498994

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 22 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) 2.01 8.66 -267.1 8 4 4 66 318.594 19
Hi High (pH 8-9.5) 2.01 5.97 -82.03 6 4 2 57 316.578 19
Hi High (pH 8-9.5) 2.01 5.76 -88.92 6 4 2 57 316.578 19
Mid Mid (pH 6-8) 2.01 7.19 -166.24 7 4 3 62 317.586 19

Activity (Go SEA)

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