UCSF

ZINC14289906

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 28 No

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) 1.41 5.67 -23.68 4 8 0 119 379.42 6
Mid Mid (pH 6-8) 1.41 6.17 -49.65 5 8 1 120 380.428 6

Activity (Go SEA)

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