UCSF

ZINC58520492

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 13 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) -0.34 0.34 -11.69 1 4 0 44 186.255 2
Mid Mid (pH 6-8) -0.34 2.58 -44.17 2 4 1 45 187.263 2

Activity (Go SEA)

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