UCSF

ZINC17208360

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 33 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 6.22 -64.54 0 8 -1 107 512.391 8
Mid Mid (pH 6-8) 3.41 6.36 -12.85 1 8 0 104 513.399 7
Mid Mid (pH 6-8) 2.38 6.94 -15.43 0 8 0 101 513.399 8

Activity (Go SEA)

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