UCSF

ZINC61567976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2011 17 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 6.79 -40.59 2 3 1 29 235.351 4
Hi High (pH 8-9.5) 2.75 5.62 -3.29 1 3 0 24 234.343 4
Lo Low (pH 4.5-6) 2.75 5.59 -30.84 2 3 1 26 235.351 4
Lo Low (pH 4.5-6) 2.75 6.77 -109.64 3 3 2 30 236.359 4

Activity (Go SEA)

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