UCSF

ZINC42060065

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 23 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) -0.17 2.19 -14.24 2 8 0 106 318.333 4
Mid Mid (pH 6-8) 0.29 -0.32 -52.01 1 8 -1 109 317.325 4

Activity (Go SEA)

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