UCSF

ZINC19217900

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 29 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) 1.39 1.72 -51.09 4 8 1 106 400.503 8
Mid Mid (pH 6-8) 1.39 1.67 -50.61 4 8 1 106 400.503 8
Mid Mid (pH 6-8) 1.39 -0.66 -14.66 3 8 0 105 399.495 8

Activity (Go SEA)

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