UCSF

ZINC37097172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 0.56 4.6 -38.75 3 3 1 40 247.362 4
Hi High (pH 8-9.5) 0.56 4.32 -3.2 2 3 0 38 246.354 4
Mid Mid (pH 6-8) 0.56 5.96 -33.14 3 3 1 40 247.362 4
Mid Mid (pH 6-8) 0.56 6.27 -119.33 4 3 2 41 248.37 4

Activity (Go SEA)

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