UCSF

ZINC42914443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 1.86 5.44 -105.69 4 3 2 35 281.419 4
Mid Mid (pH 6-8) 1.86 4.21 -45.51 3 3 1 34 280.411 4

Activity (Go SEA)

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