UCSF

ZINC07667384

Substance Information

In ZINC since Heavy atoms Benign functionality
June 10th, 2006 23 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) 1.44 2.82 -76.75 0 6 -1 87 338.315 2
Mid Mid (pH 6-8) 1.37 4.44 -38.86 1 6 0 81 339.323 2

Activity (Go SEA)

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