UCSF

ZINC09061244

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 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) 0.61 4.54 -12.25 2 7 0 91 417.263 5
Ref Reference (pH 7) 0.61 4.55 -12.31 2 7 0 91 417.263 5
Lo Low (pH 4.5-6) 0.61 5 -42.23 3 7 1 93 418.271 5
Lo Low (pH 4.5-6) 0.61 4.99 -42.25 3 7 1 93 418.271 5

Activity (Go SEA)

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