UCSF

ZINC09015470

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 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) 2.83 6.45 -60.64 1 5 -1 81 415.263 6
Mid Mid (pH 6-8) 3.27 6.83 -13.39 2 5 0 78 416.271 5

Activity (Go SEA)

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