UCSF

ZINC41046561

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 13 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) 0.58 4.27 -86.91 3 3 2 34 201.339 5
Hi High (pH 8-9.5) 0.58 0.6 -3.66 1 3 0 28 199.323 5
Mid Mid (pH 6-8) 0.58 1.97 -35.5 2 3 1 33 200.331 5

Activity (Go SEA)

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