UCSF

ZINC37979068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 12 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) 1.79 5.23 -41.08 2 2 1 30 186.662 5
Mid Mid (pH 6-8) 1.79 3.85 -4.35 1 2 0 25 185.654 5

Activity (Go SEA)

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