UCSF

ZINC26515364

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 10 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) 2.19 3.68 -3.76 1 2 0 36 140.23 5
Mid Mid (pH 6-8) 2.19 4.85 -45.55 2 2 1 40 141.238 5

Activity (Go SEA)

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