UCSF

ZINC43252743

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.09 -0.87 -46.4 4 4 1 54 304.867 5
Hi High (pH 8-9.5) 1.09 -1.17 -5.02 3 4 0 53 303.859 5
Mid Mid (pH 6-8) 1.09 1.46 -95.93 5 4 2 56 305.875 5

Activity (Go SEA)

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