UCSF

ZINC57935814

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 21 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) 1.94 3.06 -6.32 2 4 0 58 314.185 4
Hi High (pH 8-9.5) 2.13 2.23 -38.55 1 4 -1 65 313.177 4

Activity (Go SEA)

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