UCSF

ZINC43402695

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

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) 2.93 3.75 -44.69 3 4 1 67 284.792 4
Hi High (pH 8-9.5) 2.93 3.48 -6.08 2 4 0 65 283.784 4

Activity (Go SEA)

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