UCSF

ZINC40885915

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 15 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) 2.65 7 -6.61 0 2 0 16 238.64 4
Mid Mid (pH 6-8) 2.65 7.08 -33.31 1 2 1 17 239.648 4

Activity (Go SEA)

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