UCSF

ZINC43253584

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 2.35 4.77 -128.57 5 4 2 61 305.875 7
Hi High (pH 8-9.5) 2.35 2.78 -8.93 3 4 0 58 303.859 7
Mid Mid (pH 6-8) 2.35 4.47 -40.9 4 4 1 60 304.867 7
Mid Mid (pH 6-8) 2.35 3.05 -56.04 4 4 1 60 304.867 7

Activity (Go SEA)

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