UCSF

ZINC20247491

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 14 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) 0.21 -0.11 -54.87 3 5 1 66 222.334 5
Mid Mid (pH 6-8) 0.21 -1.51 -9.33 2 5 0 61 221.326 5

Activity (Go SEA)

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