UCSF

ZINC53126899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 1.43 0.83 -36.37 4 4 1 66 229.344 5
Hi High (pH 8-9.5) 1.43 -0.4 -9.67 3 4 0 61 228.336 5

Activity (Go SEA)

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