UCSF

ZINC52926237

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 18 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) 2.96 8.83 -52.52 2 4 1 62 247.318 4
Hi High (pH 8-9.5) 2.96 7.67 -7.01 1 4 0 58 246.31 4

Activity (Go SEA)

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