UCSF

ZINC05728226

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 24 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) 3.22 8.08 -52.81 0 4 -1 60 344.749 3
Mid Mid (pH 6-8) 3.67 1.46 -18.28 1 4 0 57 345.757 2
Mid Mid (pH 6-8) 2.64 0.94 -10.01 0 4 0 54 345.757 3

Activity (Go SEA)

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