UCSF

ZINC06564497

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 29 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) 3.83 7.77 -57.68 1 6 -1 90 414.865 7
Mid Mid (pH 6-8) 4.28 -0.61 -19.64 2 6 0 87 415.873 6

Activity (Go SEA)

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