UCSF

ZINC20728089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 18 No

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) 2.43 2.98 -8.54 2 4 0 61 324.203 1
Ref Reference (pH 7) 2.25 5.45 -7.8 2 4 0 58 324.203 1
Hi High (pH 8-9.5) 2.33 2.65 -40.94 0 4 -1 60 323.195 1
Mid Mid (pH 6-8) 2.25 5.43 -6.63 2 4 0 58 324.203 1
Mid Mid (pH 6-8) 2.43 3 -6.62 2 4 0 61 324.203 1

Activity (Go SEA)

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