UCSF

ZINC43912540

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 2.46 5.22 -39.48 2 4 1 38 295.447 10
Hi High (pH 8-9.5) 2.46 3.24 -4.8 1 4 0 34 294.439 10
Mid Mid (pH 6-8) 2.46 4.62 -26.42 2 4 1 35 295.447 10

Activity (Go SEA)

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