UCSF

ZINC52928534

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.40 7.66 -32.83 1 2 1 8 225.4 4
Hi High (pH 8-9.5) 3.40 8 -31.61 1 2 1 8 225.4 4
Hi High (pH 8-9.5) 3.40 5.74 -0.65 0 2 0 6 224.392 4

Activity (Go SEA)

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