UCSF

ZINC43400999

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.44 4.67 -34.41 4 4 1 68 219.312 2
Hi High (pH 8-9.5) 0.44 5.67 -6.67 3 4 0 66 218.304 2
Lo Low (pH 4.5-6) 0.44 5.08 -88.02 5 4 2 69 220.32 2

Activity (Go SEA)

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