UCSF

ZINC42455955

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) -0.86 2.49 -93.39 4 5 2 56 244.383 5
Hi High (pH 8-9.5) -0.86 1.73 -38.64 3 5 1 54 243.375 5
Mid Mid (pH 6-8) -0.86 0.14 -48.73 3 5 1 54 243.375 5
Mid Mid (pH 6-8) -0.86 4.47 -174.06 5 5 3 57 245.391 5

Activity (Go SEA)

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