UCSF

ZINC37037832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) -0.43 3.37 -94.41 4 5 2 56 270.421 5
Hi High (pH 8-9.5) -0.43 0.8 -8.03 2 5 0 53 268.405 5
Mid Mid (pH 6-8) -0.43 3.08 -37.2 3 5 1 54 269.413 5
Mid Mid (pH 6-8) -0.43 3.46 -109.16 4 5 2 56 270.421 5
Mid Mid (pH 6-8) -0.43 1.17 -48.83 3 5 1 54 269.413 5

Activity (Go SEA)

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