UCSF

ZINC17208358

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 6.63 -64.08 0 8 -1 107 512.391 8
Mid Mid (pH 6-8) 3.41 6.85 -20.05 1 8 0 104 513.399 7

Activity (Go SEA)

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