UCSF

ZINC28100508

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 28 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) 1.14 10.66 -91.14 1 6 0 70 407.873 5
Mid Mid (pH 6-8) -1.60 9.71 -64.19 2 6 1 73 408.881 4

Activity (Go SEA)

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