UCSF

ZINC04889269

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 26 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) 3.00 6.66 -43.59 1 5 -1 81 415.263 5
Mid Mid (pH 6-8) 3.45 -2.94 -24.01 2 5 0 77 416.271 4
Mid Mid (pH 6-8) 2.42 -2.65 -18.33 1 5 0 74 416.271 5

Activity (Go SEA)

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