UCSF

ZINC19395054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 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) 2.71 6.32 -119.45 4 3 2 41 286.366 5
Mid Mid (pH 6-8) 2.71 4.45 -44.97 3 3 1 40 285.358 5

Activity (Go SEA)

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