UCSF

ZINC28770944

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 22 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) -2.79 -1.99 -137.56 2 10 -2 157 330.189 4
Hi High (pH 8-9.5) -2.33 -4.5 -198.42 1 10 -3 160 329.181 4
Mid Mid (pH 6-8) -2.79 -3.14 -48.83 3 10 -1 154 331.197 4

Activity (Go SEA)

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