UCSF

ZINC36745748

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 0.36 -2.73 -20.08 3 9 0 152 343.77 6
Hi High (pH 8-9.5) 0.36 -2.6 -47.34 2 9 -1 154 342.762 6

Activity (Go SEA)

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