UCSF

ZINC54053195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 3.40 4.9 -44.42 2 4 1 56 287.17 4
Hi High (pH 8-9.5) 3.40 3.6 -6.34 1 4 0 51 286.162 4

Activity (Go SEA)

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