UCSF

ZINC19371695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 0.06 1.07 -40.02 2 4 1 32 228.36 4
Mid Mid (pH 6-8) 0.06 3.41 -88.96 3 4 2 34 229.368 4

Activity (Go SEA)

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