UCSF

ZINC37040523

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 0.78 0.74 -45.19 4 4 1 66 225.293 2
Mid Mid (pH 6-8) 0.78 -0.45 -12.38 3 4 0 61 224.285 2

Activity (Go SEA)

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