UCSF

ZINC05817852

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 25 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) 1.72 4.79 -62.05 1 6 -1 90 338.339 4
Mid Mid (pH 6-8) 2.16 -1.57 -19.38 2 6 0 87 339.347 3
Mid Mid (pH 6-8) 1.13 -1.31 -13.73 1 6 0 83 339.347 4

Activity (Go SEA)

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