UCSF

ZINC40884536

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) 2.96 7.45 -4.77 0 2 0 16 224.735 2
Mid Mid (pH 6-8) 2.96 7.9 -28.02 1 2 1 17 225.743 2

Activity (Go SEA)

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