UCSF

ZINC19845592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 19 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) 4.10 3.59 -44.91 2 4 -1 75 339.238 4
Mid Mid (pH 6-8) 3.65 5.49 -8.14 3 4 0 72 340.246 4
Mid Mid (pH 6-8) 3.65 4.89 -18.42 3 4 0 72 340.246 4

Activity (Go SEA)

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