UCSF

ZINC43411909

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 2.25 4.97 -41.08 2 4 1 42 229.735 4
Hi High (pH 8-9.5) 2.25 2.82 -6.69 1 4 0 41 228.727 4

Activity (Go SEA)

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