UCSF

ZINC19384969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 14 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) 1.36 2.3 -42.83 3 3 1 40 201.334 5
Mid Mid (pH 6-8) 1.36 3.96 -110.91 4 3 2 41 202.342 5

Activity (Go SEA)

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