UCSF

ZINC42951831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 Yes

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) 1.83 5.86 -103.45 4 3 2 35 314.271 3
Mid Mid (pH 6-8) 1.83 3.48 -42.15 3 3 1 34 313.263 3

Activity (Go SEA)

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