UCSF

ZINC43254169

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.22 4.31 -128.25 6 4 2 75 319.902 8
Hi High (pH 8-9.5) 2.22 2.76 -56.54 5 4 1 74 318.894 8
Hi High (pH 8-9.5) 2.22 2.21 -7.45 4 4 0 72 317.886 8
Mid Mid (pH 6-8) 2.22 4.01 -40.93 5 4 1 74 318.894 8

Activity (Go SEA)

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